SCHEMBL8069812

SCHEMBL8069812

CC(=O)OC(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.50
PPARA Q07869 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 1/20 0.50
BRD4 O60885 1/20 0.47
POLB P06746 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 2/20 0.39
FFAR2 O15552 1/20 0.39
GABBR2 O75899 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11531168 0.84 BRD4 (0.46) PPARGPPARACYP3A4ALDH1A1BRD4
SCHEMBL11531170 0.84 BRD4 (0.46) PPARGPPARACYP3A4ALDH1A1BRD4
SCHEMBL8068274 0.83 CYP3A4 (0.51) CYP3A4ALDH1A1BRD4CYP2C9CYP2C19
SCHEMBL8069856 0.83 ALDH1A1 (0.51) CYP3A4ALDH1A1POLBCYP2C19TSHR
SCHEMBL28946649 0.83 CYP3A4 (0.45) PPARGPPARACYP3A4ALDH1A1BRD4
SCHEMBL628737 0.82 ALDH1A1 (0.70) PPARACYP3A4ALDH1A1CYP2D6KMT2A
SCHEMBL493954 0.82 ALDH1A1 (0.70) PPARACYP3A4ALDH1A1CYP2D6KMT2A
SCHEMBL1286155 0.82 ALDH1A1 (0.70) PPARACYP3A4ALDH1A1CYP2D6KMT2A
SCHEMBL27918555 0.82 BRD4 (0.52) CYP3A4ALDH1A1BRD4CYP2C9CYP2C19
SCHEMBL266721 0.81 ALDH1A1 (0.50) PPARGPPARACYP3A4ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054479-A FOR FOOD, COSMETICS, DRUGS; ADDING ARYL ACETOXYACETIC ACID TRISTRATA, INC. (A DELAWARE CORPORATION) (US) 2000-04-25 US claimed
US-6046238-A TOPICALLY APPLYING TO AN AFFECTED AREA OF SKIN AN EFFECTIVE AMOUNT OF ARYL 2-ACETOXYETHANOIC ACID, EFFECTIVE TO REMOVE OR PREVENT THE SPREAD OF ACNE VULGARIS TRISTRATA, INC. (US) 2000-04-04 US claimed
US-5958975-A REVERSING OR PREVENTING TACHYPHYLAXIS OF PSORIASIS TO A CORTICOSTEROID; APPLYING TO PSORIATIC SKIN A CORTICOSTEROID AND AN ARYL 2-ACETOXY-ETHANOIC ACID; COSMETICS; FOODS TRISTRATA, INC. (US) 1999-09-28 US claimed
US-5874071-A USING AN ARYL 2-ACETOXYETHANOIC ACID; DEODERANTS; ANTIPRESPIRANTS; PREVENTION OF ODORS ASSOCIATED WITH FOOT, SCALP, SKIN, NAILS AND FOLLICULR INFECTIONS; PROPIONIBACTERIUM ACNES; FOODS; COSMETICS; DRUGS TRISTRATA, INC. (US) 1999-02-23 US claimed
EP-0789553-A4 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME TRISTRATA INC (US) 1998-05-06 EP claimed
EP-0789553-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME Tristrata, Inc. (US) 1997-08-20 EP claimed
WO-1996013247-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME TRISTRATA, INC. (US) 1996-05-09 WO claimed
US-6054479-A FOR FOOD, COSMETICS, DRUGS; ADDING ARYL ACETOXYACETIC ACID TRISTRATA, INC. (A DELAWARE CORPORATION) (US) 2000-04-25 US disclosed
US-6046238-A TOPICALLY APPLYING TO AN AFFECTED AREA OF SKIN AN EFFECTIVE AMOUNT OF ARYL 2-ACETOXYETHANOIC ACID, EFFECTIVE TO REMOVE OR PREVENT THE SPREAD OF ACNE VULGARIS TRISTRATA, INC. (US) 2000-04-04 US disclosed
US-5989527-A Compositions and methods for improving the performance of chemical exfoliating agents, sunless tanning agents, skin lightening agents and insect repellents INOLEX INVESTMENT CORPORATION (US) 1999-11-23 US disclosed
US-5958975-A REVERSING OR PREVENTING TACHYPHYLAXIS OF PSORIASIS TO A CORTICOSTEROID; APPLYING TO PSORIATIC SKIN A CORTICOSTEROID AND AN ARYL 2-ACETOXY-ETHANOIC ACID; COSMETICS; FOODS TRISTRATA, INC. (US) 1999-09-28 US disclosed
US-5874071-A USING AN ARYL 2-ACETOXYETHANOIC ACID; DEODERANTS; ANTIPRESPIRANTS; PREVENTION OF ODORS ASSOCIATED WITH FOOT, SCALP, SKIN, NAILS AND FOLLICULR INFECTIONS; PROPIONIBACTERIUM ACNES; FOODS; COSMETICS; DRUGS TRISTRATA, INC. (US) 1999-02-23 US disclosed
US-5807890-A USING ARYL 2-ACETOXYETHANOIC ACID TRISTRATA, INC. (US) 1998-09-15 US disclosed
EP-0789553-A4 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME TRISTRATA INC (US) 1998-05-06 EP disclosed
EP-0789553-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME Tristrata, Inc. (US) 1997-08-20 EP disclosed
US-5641475-A INCLUDES ARYL 2-ACETOXYETHANOIC ACID AS SYNERGIST OR AMPLIFIER TRISTRATA, INC. (US) 1997-06-24 US disclosed
WO-1996013247-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME TRISTRATA, INC. (US) 1996-05-09 WO disclosed