SCHEMBL7348472

SCHEMBL7348472

Cc1c(CCC(=O)O)[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.62
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
THRB P10828 1/20 0.61
TBXAS1 P24557 1/20 0.56
TDP1 Q9NUW8 2/20 0.49
PSMD14 O00487 1/20 0.49
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PPARG P37231 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
EGFR P00533 1/20 0.45
HCRTR1 O43613 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
KIF11 P52732 1/20 0.44
PTPN5 P54829 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 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
SCHEMBL27734682 0.84 KDM4E (0.67) APEX1KDM4EALDH1A1HPGDTHRB
SCHEMBL5756220 0.83 EGFR (0.48) APEX1PPARGEGFRSIRT1KIF11
SCHEMBL10980413 0.82 KDM4E (0.57) APEX1KDM4EALDH1A1HPGDTHRB
SCHEMBL11406941 0.82 KDM4E (0.57) APEX1KDM4EALDH1A1HPGDTHRB
SCHEMBL8318727 0.81 KDM4E (0.56) APEX1KDM4EALDH1A1HPGDTHRB
SCHEMBL7350953 0.81 HCRTR1 (0.50) APEX1KDM4EALDH1A1HPGDTDP1
SCHEMBL28900980 0.79 KMT2A (0.61) KDM4EALDH1A1HPGDEGFRHSD17B10
SCHEMBL28474292 0.77 EGFR (0.54) KDM4EALDH1A1HPGDRECQLITGB3
SCHEMBL7080072 0.77 KDM4E (0.75) APEX1KDM4EALDH1A1HPGDTHRB
SCHEMBL1586810 0.77 KDM4E (1.00) APEX1KDM4EALDH1A1HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741804-A Substituted benzimazoles which inhibit platelet aggrecation SMITHKLINE BEECHAM CORPORATION (US) 1998-04-21 US disclosed
EP-0672034-A4 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION. SMITHKLINE BEECHAM CORP (US) 1996-09-25 EP disclosed
EP-0672034-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1995-09-20 EP disclosed
WO-1994012478-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1994-06-09 WO disclosed