SCHEMBL5879645

SCHEMBL5879645

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)NCc2ccc(CNC(=O)NCc3ccccc3)cc2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.61
ITGAV P06756 12/20 0.61
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5879698 0.94 ITGB3 (0.71) ITGB3ITGAVTSHRNPC1RAB9A
SCHEMBL5879625 0.90 ITGB3 (0.61) ITGB3ITGAVTSHRNPC1RAB9A
SCHEMBL5879845 0.83 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL5879789 0.81 ITGB3 (0.44) ITGB3ITGAVSMN1; SMN2KDM4ECASP1
SCHEMBL5879538 0.80 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879791 0.77 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL5879843 0.76 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879531 0.75 ITGB3 (0.75) ITGB3ITGAV
SCHEMBL5879553 0.75 ITGB3 (0.47) ITGB3ITGAVKDM4EPOLB
SCHEMBL5879558 0.74 ITGB3 (0.74) ITGB3ITGAVKDM4EPOLB

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed