SCHEMBL9009458

SCHEMBL9009458

CCOC(=O)CC(C)N1CC(=O)N(C)c2ccc(C(CC)NCC(N)C(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7330636 0.82 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7327746 0.82 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL9491880 0.76 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7363816 0.75 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7321741 0.75 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7319919 0.75 ITGB3 (0.48) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL7322172 0.74 ITGB3 (0.41) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7326098 0.74 RXRA (0.33) ITGB3ITGA2B
SCHEMBL7333946 0.74 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7331758 0.74 ITGB3 (0.46) ITGB3ITGA2B

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-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed