SCHEMBL8964075

SCHEMBL8964075

CCCCCCCCCCCCN(C)C(=O)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.47
NPC1 O15118 1/20 0.46
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
PTPN11 Q06124 1/20 0.44
PLK1 P53350 1/20 0.44
ICMT O60725 1/20 0.43
ALB P02768 1/20 0.43

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
SCHEMBL10357466 1.00 TSHR (0.50) TSHRGAACYP1A2HPGDALDH1A1
SCHEMBL21891714 0.94 GAA (0.56) TSHRGAACYP1A2HPGDALDH1A1
SCHEMBL5127220 0.87 TP53 (0.59) TSHRGAACYP1A2HPGDALDH1A1
SCHEMBL8659026 0.86 TP53 (0.64) GAAHPGDALDH1A1TP53NPC1
Phthalic Acid SCHEMBL8161821 0.85 ALDH1A1 (0.52) TSHRGAAALDH1A1KDM4EPOLB
SCHEMBL9091405 0.85 TSHR (0.48) TSHRGAACYP1A2HPGDALDH1A1
SCHEMBL9092439 0.85 TSHR (0.48) TSHRGAACYP1A2HPGDALDH1A1
SCHEMBL8963512 0.85 TSHR (0.48) TSHRGAACYP1A2HPGDALDH1A1
Phthalic Acid SCHEMBL29793929 0.83 ALDH1A1 (0.64) TSHRALDH1A1TP53KDM4ELMNA
Phthalic Acid SCHEMBL28653607 0.83 ALDH1A1 (0.64) TSHRALDH1A1TP53KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4780319-A DRUG DELIVERY USING POLYORTHOESTERS COATINGS MERCK & CO., INC. (US) 1988-10-25 US claimed
EP-0705591-A2 Cyclic amidocarboxy surfactants, synthesis and use thereof STEPAN COMPANY (US) 1996-04-10 EP disclosed
EP-0486510-B1 CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF STEPAN CO (US) 1996-02-14 EP disclosed
EP-0688601-A1 Cyclic amidocarboxy surfactants, synthesis and use thereof STEPAN COMPANY (US) 1995-12-27 EP disclosed
EP-0486510-A1 CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF. STEPAN CO (US) 1992-05-27 EP disclosed
WO-1991001970-A2 CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF STEPAN COMPANY (US) 1991-02-21 WO disclosed
EP-0208617-B1 CONTROLLED DRUG DEVICE AND PROCESS FOR CATALYSING THE EROSION OF AN ACID LABILE POLYMER MERCK & CO. INC. (US) 1990-09-26 EP disclosed
US-4780319-A DRUG DELIVERY USING POLYORTHOESTERS COATINGS MERCK & CO., INC. (US) 1988-10-25 US disclosed
EP-0208617-A1 Controlled drug device and process for catalysing the erosion of an acid labile polymer MERCK & CO. INC. (US) 1987-01-14 EP disclosed