SCHEMBL9023765

SCHEMBL9023765

COc1ccc(NCC(O)CO)c(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
VDR P11473 2/20 0.40
AGTR1 P30556 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SLC2A1 P11166 1/20 0.35
STAT3 P40763 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35

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
SCHEMBL9023607 0.80 KDM4E (0.41) LMNAMAPTTDP1CYP3A4TSHR
SCHEMBL9024006 0.79 PDE4B (0.43) LMNAMAPTTDP1CYP3A4TSHR
SCHEMBL9023468 0.76 IDO1 (0.42) LMNAMAPTTDP1CYP3A4TUBB4A
SCHEMBL6572048 0.74 AR (0.36) ARVDRPPARGPPARDPPARA
SCHEMBL9023989 0.74 ALOX5 (0.42) CYP1A2CYP3A4
SCHEMBL9024157 0.73 MAPT (0.42) LMNAMAPTTDP1CYP3A4TUBB4A
Hydrochloric Acid SCHEMBL9124952 0.72 MAPT (0.41) LMNAMAPTTDP1CYP3A4TUBB4A
SCHEMBL6573875 0.69 ADRA1A (0.39) ARVDRLMNACYP1A2MEN1
SCHEMBL6570673 0.68 AGTR1 (0.42) AGTR1LMNACYP1A2MEN1MAPT
SCHEMBL1402474 0.68 MAPT (0.61) LMNAMAPTTDP1CYP3A4TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591373-B1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD OREAL (FR) 1996-05-22 EP claimed
US-5443596-A Keratinous fiber dyeing compositions and processes utilizing oxidation dye precursors in combination with dimethoxy meta-aminophenol couplers L'OREAL (FR) 1995-08-22 US claimed
EP-0591373-A1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD. OREAL (FR) 1994-04-13 EP claimed
WO-1993000066-A1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD L'OREAL (FR) 1993-01-07 WO claimed
EP-0591373-B1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD OREAL (FR) 1996-05-22 EP disclosed
US-5443596-A Keratinous fiber dyeing compositions and processes utilizing oxidation dye precursors in combination with dimethoxy meta-aminophenol couplers L'OREAL (FR) 1995-08-22 US disclosed
EP-0591373-A1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD. OREAL (FR) 1994-04-13 EP disclosed
WO-1993000066-A1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD L'OREAL (FR) 1993-01-07 WO disclosed