SCHEMBL11086880

SCHEMBL11086880

Cc1ccccc1NC(=O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ HPGD P15428 3/20 0.62
▸ HTT P42858 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ POLB P06746 3/20 0.58
▸ MAPT P10636 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ KDM4C Q9H3R0 1/20 0.54
▸ TP53 P04637 1/20 0.54

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
SCHEMBL6848512 0.87 KMT2A (0.65) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL11289021 0.87 HPGD (0.70) HSD17B10KDM4EHPGDHTTLMNA
SCHEMBL6848585 0.85 NPC1 (0.54) HSD17B10KDM4EHTTLMNAALDH1A1
SCHEMBL22819972 0.83 KDM4E (0.60) HSD17B10KDM4EHPGDHTTLMNA
SCHEMBL3690385 0.81 HPGD (0.77) HSD17B10KDM4EHPGDHTTLMNA
SCHEMBL2784357 0.81 HPGD (0.62) HSD17B10KDM4EHPGDHTTLMNA
SCHEMBL11629232 0.80 KDM4E (0.50) HSD17B10KDM4EHPGDHTTLMNA
SCHEMBL28652342 0.80 HSD17B10 (0.70) HSD17B10KDM4EHPGDHTTLMNA
SCHEMBL6847188 0.80 NPC1 (0.53) HSD17B10KDM4EALDH1A1NPC1RAB9A
SCHEMBL8252530 0.80 ALDH1A1 (0.72) HSD17B10KDM4EHPGDHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473491-A Alkanolamine salts of cyclic amide acids and their use as metal corrosion inhibitors in aqueous systems BASF AKTIENGESELLSCHAFT (DE) 1984-09-25 — — US disclosed
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