SCHEMBL6961808

SCHEMBL6961808

COc1cc(Cl)cc(C(=O)N(CCC(=O)O)C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ DDR1 Q08345 1/20 0.41
▸ F2 P00734 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ FABP4 P15090 1/20 0.37

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
SCHEMBL6970185 0.91 F2 (0.43) HSD17B10MEN1KMT2AUSP2ALDH1A1
SCHEMBL6975927 0.89 HSD17B10 (0.41) HSD17B10MEN1KMT2AUSP2ALDH1A1
SCHEMBL7239408 0.79 DDR1 (0.41) HSD17B10MEN1KMT2AUSP2ALDH1A1
SCHEMBL30666356 0.79 ALDH1A1 (0.55) HSD17B10KMT2AALDH1A1HPGDDDR1
SCHEMBL11407386 0.77 HSD17B10 (0.48) HSD17B10MEN1KMT2AUSP2ALDH1A1
SCHEMBL6968708 0.77 F2 (0.52) F2
SCHEMBL6977417 0.75 ALDH1A1 (0.39) HSD17B10MEN1KMT2AUSP2ALDH1A1
SCHEMBL11216152 0.73 L3MBTL1 (0.41) HSD17B10MEN1KMT2AUSP2ALDH1A1
SCHEMBL30251625 0.71 TPMT (0.61) HPGDDDR1LMNAKDM4E
SCHEMBL1188720 0.71 TPMT (0.61) HPGDDDR1LMNAKDM4E

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
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 — — EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 — — US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 — — EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 — — WO disclosed
Send feedback