SCHEMBL5879592

SCHEMBL5879592

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)NCCNC2=NCCN2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.43
ITGAV P06756 9/20 0.43
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
BDKRB1 P46663 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5879517 0.75 ITGB3 (0.72) ITGB3ITGAV
SCHEMBL5879664 0.75 ITGB3 (0.52) ITGB3ITGAVTP53ALDH1A1
SCHEMBL5879778 0.74 ITGB3 (0.43) ITGB3ITGAVTHRBALDH1A1
SCHEMBL5879795 0.74 ITGB3 (0.73) ITGB3ITGAVALDH1A1
SCHEMBL5879751 0.71 ITGB3 (0.49) ITGB3ITGAVTP53THRBALDH1A1
SCHEMBL5879845 0.70 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL5879698 0.70 ITGB3 (0.71) ITGB3ITGAV
SCHEMBL5879558 0.69 ITGB3 (0.74) ITGB3ITGAVTHRBPOLB
SCHEMBL5879569 0.69 ITGB3 (0.51) ITGB3ITGAVTHRB
SCHEMBL5879625 0.68 ITGB3 (0.61) ITGB3ITGAV

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