SCHEMBL28049655

SCHEMBL28049655

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ HPGD P15428 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ THRA P10827 3/20 0.53
▸ THRB P10828 3/20 0.53
▸ PTGS2 P35354 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ PPARA Q07869 2/20 0.49
▸ PPARG P37231 1/20 0.49
▸ S1PR2 O95136 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ KAT8 Q9H7Z6 2/20 0.46
▸ RARB P10826 2/20 0.46

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
SCHEMBL28161011 0.98 GPR84 (0.68) GPR84ALDH1A1HPGDHSD17B10THRA
SCHEMBL16050416 0.98 GPR84 (0.72) GPR84ALDH1A1HPGDHSD17B10THRA
SCHEMBL16050407 0.96 ALDH1A1 (0.70) GPR84ALDH1A1HPGDHSD17B10THRA
SCHEMBL22040784 0.96 ALDH1A1 (0.70) GPR84ALDH1A1HPGDHSD17B10THRA
SCHEMBL290207 0.91 PTGS2 (0.67) GPR84ALDH1A1HPGDHSD17B10THRA
SCHEMBL16050465 0.90 GPR84 (0.62) GPR84ALDH1A1HPGDHSD17B10THRA
Setogepram SCHEMBL19095287 0.86 ALDH1A1 (0.67) GPR84ALDH1A1HPGDHSD17B10PPARA
Setogepram SCHEMBL289216 0.84 ALDH1A1 (0.69) GPR84ALDH1A1HPGDHSD17B10PPARA
Setogepram SCHEMBL29395927 0.84 ALDH1A1 (0.69) GPR84ALDH1A1HPGDHSD17B10PPARA
SCHEMBL17678363 0.83 GPR84 (0.73) GPR84ALDH1A1HPGDHSD17B10PTGS2

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-110105200-A For treating the aromatic compounds being substituted and correlation technique of fibrosis 普罗米蒂克医药SMT有限公司 2019-08-09 — — CN disclosed
CN-105189438-A Substituted aromatic compounds for treating fibrosis and related methods PROMETIC BIOSCIENCES INC 2015-12-23 — — CN disclosed
Send feedback