SCHEMBL28161013

SCHEMBL28161013

CCCCCc1cc(CCCCC)c(O)c(CC(=O)O)c1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ GPR84 Q9NQS5 2/20 0.50
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PTGS2 P35354 6/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ KAT8 Q9H7Z6 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ ALOX5 P09917 4/20 0.42
▸ S1PR2 O95136 1/20 0.41
▸ S1PR1 P21453 1/20 0.41

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
SCHEMBL28547589 0.98 ALDH1A1 (0.53) ALDH1A1GPR84HPGDHSD17B10PTGS2
SCHEMBL29555599 0.98 ALDH1A1 (0.56) ALDH1A1GPR84HPGDHSD17B10PTGS2
SCHEMBL16050413 0.98 ALDH1A1 (0.56) ALDH1A1GPR84HPGDHSD17B10PTGS2
SCHEMBL16050765 0.97 ALDH1A1 (0.54) ALDH1A1GPR84HPGDHSD17B10PTGS2
SCHEMBL28538520 0.90 ALDH1A1 (0.57) ALDH1A1GPR84HPGDHSD17B10PTGS2
SCHEMBL28542042 0.89 ALDH1A1 (0.56) ALDH1A1GPR84HPGDHSD17B10PTGS2
SCHEMBL16050932 0.89 ALDH1A1 (0.59) ALDH1A1GPR84HPGDHSD17B10PTGS2
SCHEMBL16050406 0.87 ALDH1A1 (0.57) ALDH1A1GPR84HPGDHSD17B10PTGS2
SCHEMBL17678365 0.86 GPR84 (0.53) ALDH1A1GPR84PTGS2CYP3A4KAT8
SCHEMBL19166809 0.86 GPR84 (0.51) ALDH1A1GPR84PTGS2CYP3A4KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999458-B Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of diabetes 普罗米蒂克医药SMT有限公司 2021-04-13 — — CN disclosed
CN-106999458-A Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of diabetes 普罗米蒂克医药SMT有限公司 2017-08-01 — — CN disclosed
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