SCHEMBL5896872

SCHEMBL5896872

CC(C)CCn1cc(NC(=O)c2cc3cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc3[nH]2)cc1C(=O)NCCCC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRAS P01112 4/20 0.46
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
ITGB3 P05106 15/20 0.43
ITGA2B P08514 15/20 0.43

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
SCHEMBL5889621 0.91 HRAS (0.54) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5677699 0.90 HRAS (0.50) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5889846 0.89 HRAS (0.54) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896881 0.88 HRAS (0.51) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6489771 0.81 HRAS (0.47) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5680304 0.80 ITGB3 (0.40) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6486747 0.78 HRAS (0.46) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896786 0.77 HRH3 (0.44) HRASESR1ESR2
SCHEMBL5680308 0.76 HRAS (0.38) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6779947 0.76 HRAS (0.52) HRASESR1ESR2ITGB3ITGA2B

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-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed