SCHEMBL8586533

SCHEMBL8586533

Nc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.57
ITGA2B P08514 8/20 0.57
TYR P14679 2/20 0.55
ITGAV P06756 1/20 0.52
PPARA Q07869 3/20 0.52
PPARG P37231 1/20 0.52
TACR1 P25103 2/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL9744810 0.89 TYR (0.58) ITGB3ITGA2BTYRITGAVPPARA
SCHEMBL9744805 0.89 TYR (0.58) ITGB3ITGA2BTYRITGAVPPARA
SCHEMBL30319896 0.89 TYR (0.58) ITGB3ITGA2BTYRITGAVPPARA
SCHEMBL5288135 0.86 TYR (0.58) ITGB3ITGA2BTYRITGAVTACR1
SCHEMBL9825830 0.86 TYR (0.58) ITGB3ITGA2BTYRITGAVTACR1
SCHEMBL8586541 0.86 FOLH1 (0.58) ITGB3ITGA2BTYRITGAVTACR1
SCHEMBL17294499 0.86 CA2 (0.57) ITGB3ITGA2BTYRITGAVPPARA
SCHEMBL29838907 0.85 ITGB3 (0.56) ITGB3ITGA2BTYRITGAVTACR1
SCHEMBL17685892 0.85 ITGB3 (0.56) ITGB3ITGA2BTYRITGAVTACR1
SCHEMBL6756804 0.84 TYR (0.53) ITGB3ITGA2BTYRITGAVTACR1

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-1998020350-A1 COMBINATORIAL HYDROXY-AMINO ACID AMIDE LIBRARIES PHARMACOPEIA, INC. (US) 1998-05-14 WO disclosed