SCHEMBL11043906

SCHEMBL11043906

CCCCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.69
ITGA2B P08514 3/20 0.69
RAB9A P51151 2/20 0.67
GAA P10253 1/20 0.67
ITGB1 P05556 4/20 0.65
ITGA4 P13612 3/20 0.65
GPR132 Q9UNW8 2/20 0.64
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
KMT2A Q03164 1/20 0.60
PTPN1 P18031 2/20 0.60
ITGAV P06756 1/20 0.59
ITGA5 P08648 1/20 0.59
CA1 P00915 2/20 0.58
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
PPARG P37231 2/20 0.58
PPARA Q07869 1/20 0.58
CA2 P00918 2/20 0.57

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
SCHEMBL11043905 1.00 ITGB3 (0.69) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL19781398 0.96 ITGB3 (0.72) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL1123184 0.94 GPR132 (0.67) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL4369225 0.91 ITGB3 (0.68) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL1123211 0.88 GPR132 (0.64) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL1123606 0.88 GPR132 (0.64) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL1123256 0.88 GPR132 (0.64) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL28965806 0.88 ITGB3 (0.69) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL12029320 0.87 ITGB3 (0.69) ITGB3ITGA2BRAB9AGAAITGB1
SCHEMBL19781294 0.86 PPARG (0.64) ITGB3ITGA2BRAB9AGAAITGB1

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-4442090-A ACYLATED AMINO ACID KYOTO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1984-04-10 US disclosed