SCHEMBL7992105

SCHEMBL7992105

CC(C)(C)OC(=O)N1CCC(CCC(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCc3sc(CC(=O)O)cc3C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
NR1D1 P20393 2/20 0.37
GPR119 Q8TDV5 3/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL7974860 0.92 YAP1 (0.40) YAP1ITGB3ITGA2BNR1D1GPR119
SCHEMBL7986612 0.83 ITGB3 (0.40) YAP1ITGB3ITGA2BNR1D1GPR119
SCHEMBL7985585 0.81 ADORA1 (0.38) YAP1ITGB3ITGA2BNR1D1ADORA1
SCHEMBL7985559 0.79 ADORA1 (0.50) ITGB3ITGA2BITGA4ADORA1LMNA
SCHEMBL7986751 0.78 ITGB3 (0.44) ITGB3ITGA2BADORA1KMT2A
SCHEMBL7992026 0.77 ITGB3 (0.35) ITGB3ITGA2BITGA4ADORA1KMT2A
SCHEMBL7987192 0.76 ADORA1 (0.53) ADORA1KMT2AMAPK1
SCHEMBL7989510 0.76 ITGB3 (0.65) ITGB3ITGA2BKMT2A
Trifluoroacetic Acid SCHEMBL7975755 0.75 ITGB3 (0.61) ITGB3ITGA2BKMT2A
SCHEMBL7986784 0.75 ITGB3 (0.37) ITGB3ITGA2BNR1D1ITGA4ADORA1

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed