SCHEMBL7455702

SCHEMBL7455702

CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)N2CCC[C@@H](C(=O)N[C@H](COCc3ccccc3)CC(=O)O)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
STS P08842 1/20 0.42
YAP1 P46937 3/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
USP30 Q70CQ3 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2R P25116 1/20 0.37
KMT2A Q03164 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
SCHEMBL7450062 0.92 L3MBTL1 (0.42) ITGB3ITGA2BSTSYAP1CTSL
SCHEMBL7450236 0.90 ITGB3 (0.48) ITGB3ITGA2BSTSYAP1USP30
SCHEMBL7443488 0.87 ITGB3 (0.44) ITGB3ITGA2BMAPTF2RKMT2A
SCHEMBL7441387 0.86 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7444745 0.86 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7455696 0.85 KMT2A (0.43) ITGB3ITGA2BSTSYAP1USP30
SCHEMBL7440088 0.85 ITGB3 (0.45) ITGB3ITGA2BMAPTF2RKMT2A
SCHEMBL7447910 0.85 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7446367 0.83 ITGB3 (0.48) ITGB3ITGA2BSTSUSP30MAPK1
SCHEMBL7463085 0.83 ITGB3 (0.44) ITGB3ITGA2BSTSKMT2A

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-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed