SCHEMBL7977971

SCHEMBL7977971

CCCCOc1c(-c2ccccc2)n[nH]c1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.53
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ADORA3 P0DMS8 5/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.45
AURKA O14965 1/20 0.45
MAPK10 P53779 1/20 0.45
RIPK1 Q13546 1/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
EGFR P00533 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 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
SCHEMBL648130 0.82 HPGDS (0.55) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL27321802 0.80 RAB9A (0.63) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3493236 0.79 HPGDS (0.60) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10172532 0.79 HPGDS (0.60) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1753182 0.79 HPGDS (0.60) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5330670 0.76 HPGDS (0.56) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL9985730 0.75 HPGDS (0.61) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2838238 0.73 ALDH1A1 (0.54) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL11351745 0.72 ALDH1A1 (0.58) HPGDSALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4802249 0.72 KDM4E (0.60) HPGDSALDH1A1HPGDHSD17B10KDM4E

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
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed