SCHEMBL5879648

SCHEMBL5879648

CCCN(CCC)CCCN1CCN(C(=O)CN2C(=O)c3ccccc3C(CC(=O)O)c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.44
ITGB3 P05106 14/20 0.44
ITGAV P06756 14/20 0.44
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5879557 0.95 ITGB3 (0.44) CDC25AITGB3ITGAVALDH1A1HSD17B10
SCHEMBL5879654 0.91 ITGB3 (0.46) CDC25AITGB3ITGAVALDH1A1HSD17B10
SCHEMBL5879536 0.89 ITGB3 (0.45) CDC25AITGB3ITGAVALDH1A1HSD17B10
SCHEMBL5879653 0.87 ITGB3 (0.46) ITGB3ITGAVALDH1A1HSD17B10KDM4E
SCHEMBL5879871 0.85 ALDH1A1 (0.50) ITGB3ITGAVALDH1A1KDM4EUSP2
SCHEMBL5879559 0.84 HTR1A (0.46) ITGB3ITGAVALDH1A1KDM4EUSP2
SCHEMBL5879798 0.84 ALDH1A1 (0.49) ITGB3ITGAVALDH1A1KDM4EUSP2
SCHEMBL5879914 0.83 ITGB3 (0.47) ITGB3ITGAVALDH1A1KDM4EUSP2
SCHEMBL5879626 0.77 ITGB3 (0.48) ITGB3ITGAVKDM4EUSP2CASP1
SCHEMBL5879578 0.76 ITGB3 (0.64) 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