SCHEMBL7306124

SCHEMBL7306124

CC(C)(C)OC(=O)CC1(O)CCC(N2CCN(c3ccc(C(=N)N)cc3Br)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F2 P00734 4/20 0.33
AOC3 Q16853 1/20 0.33
F7 P08709 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F10 P00742 1/20 0.32
OPRL1 P41146 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
OPRM1 P35372 1/20 0.31
EML4 Q9HC35 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL7306131 1.00 ITGB3 (0.39) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7293154 0.91 ALDH1A1 (0.34) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7296172 0.87 ITGB3 (0.47) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7296178 0.87 ITGB3 (0.47) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7296184 0.87 ITGB3 (0.47) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7304500 0.86 ITGB3 (0.38) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7337996 0.84 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7305692 0.83 ALK (0.40) HRH3GPR119ALK
SCHEMBL7304309 0.81 ITGB3 (0.37) ITGB3ITGA2BALOX15F2HRH3
SCHEMBL7304305 0.81 ITGB3 (0.37) ITGB3ITGA2BALOX15F2HRH3

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
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed