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SCHEMBL15748376

SCHEMBL15748376

C=CCOCC1NC(=O)CSCC(C(N)=O)NC(=O)C(COCC=C)NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(Cc2ccccc2)NC1=O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRB7 Q14451 2/20 0.72
▸ GRB2 P62993 7/20 0.51
▸ ITGB3 P05106 5/20 0.48
▸ ITGA2B P08514 5/20 0.48
▸ CTSG P08311 2/20 0.47
▸ ROR1 Q01973 1/20 0.46
▸ EPHA2 P29317 1/20 0.45
▸ PPM1D O15297 1/20 0.45
▸ TSLP Q969D9 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
SCHEMBL15748405 0.77 GRB7 (0.85) GRB7ITGB3ITGA2BCTSG
SCHEMBL15748380 0.73 GRB7 (0.70) GRB7ITGB3ITGA2B
SCHEMBL21664063 0.72 GRB7 (0.54) GRB7ROR1
SCHEMBL21664064 0.72 GRB7 (0.54) GRB7ROR1
SCHEMBL31060478 0.72 ITGB3 (0.56) GRB7GRB2ITGB3ITGA2B
SCHEMBL14223821 0.71 GRB7 (0.54) GRB7GRB2ITGB3ITGA2BCTSG
SCHEMBL20809943 0.71 GRB7 (0.54) GRB7ITGB3ITGA2BCTSGTSLP
SCHEMBL12462669 0.71 GRB7 (0.54) GRB7ITGB3ITGA2BCTSGTSLP
SCHEMBL10046415 0.71 GRB7 (0.54) GRB7ITGB3ITGA2BCTSGTSLP
SCHEMBL14096788 0.70 CACNA1B (0.60) GRB7CTSGTSLP

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
WO-2014078889-A1 IMPROVED INHIBITORS OF GRB7 MONASH UNIVERSITY (AU) 2014-05-30 — — WO disclosed