SCHEMBL8586541

SCHEMBL8586541

O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.58
ALB P02768 3/20 0.56
IL2 P60568 3/20 0.56
TYR P14679 2/20 0.55
ITGB3 P05106 8/20 0.54
ITGA2B P08514 7/20 0.54
ITGAV P06756 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
SCHEMBL28577401 0.91 ALDH1A1 (0.56) FOLH1TYRTACR1CTSLCTSB
SCHEMBL28577399 0.91 ALDH1A1 (0.56) FOLH1TYRTACR1CTSLCTSB
SCHEMBL30319896 0.89 TYR (0.58) TYRITGB3ITGA2BITGAVTACR1
SCHEMBL9744805 0.89 TYR (0.58) TYRITGB3ITGA2BITGAVTACR1
SCHEMBL9744810 0.89 TYR (0.58) TYRITGB3ITGA2BITGAVTACR1
SCHEMBL8582379 0.88 CTSL (0.55) TYRITGB3ITGA2BITGAVTACR1
SCHEMBL28581890 0.87 CTSL (0.48) FOLH1TYRITGB3ITGA2BTACR1
SCHEMBL28581893 0.87 CTSL (0.48) FOLH1TYRITGB3ITGA2BTACR1
SCHEMBL8586533 0.86 ITGB3 (0.57) TYRITGB3ITGA2BITGAVTACR1
SCHEMBL17294499 0.86 CA2 (0.57) TYRITGB3ITGA2BITGAVTACR1

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