SCHEMBL8307026

SCHEMBL8307026

CCC1=C(C)CN(CCOc2ccc(CC(NC(C)C)C(=O)O)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.41
ITGA4 P13612 3/20 0.41
ITGB3 P05106 9/20 0.40
ITGA2B P08514 9/20 0.40
PPARG P37231 6/20 0.39
ITGA5 P08648 1/20 0.38
ACACB O00763 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL8301343 0.91 HRH3 (0.39) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL8306803 0.83 PPARG (0.52) PPARGPPARA
SCHEMBL8304445 0.78 PPARA (0.42) PPARGPPARA
SCHEMBL8302577 0.78 PPARG (0.41) PPARGPPARA
SCHEMBL21015668 0.74 ACACB (0.51) ITGB3ITGA2BACACBPPARA
SCHEMBL19465105 0.74 ACACB (0.51) ITGB3ITGA2BACACBPPARA
SCHEMBL8306160 0.73 PPARG (0.46) PPARGPPARA
SCHEMBL16075050 0.71 POLB (0.51) PPARGACACBPPARA
SCHEMBL20862302 0.71 POLB (0.51) PPARGACACBPPARA
SCHEMBL16075073 0.71 POLB (0.51) PPARGACACBPPARA

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-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed