SCHEMBL9004065

SCHEMBL9004065

CCCC[C@H](Nc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
FOLH1 Q04609 3/20 0.45
RARB P10826 6/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLA2G4B P0C869 1/20 0.42
RARA P10276 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL11202170 0.86 PLAU (0.44) CA2FOLH1MEN1ALDH1A1MAPT
SCHEMBL29432860 0.85 ALDH1A1 (0.52) CA2FOLH1MEN1ALDH1A1MAPT
SCHEMBL859719 0.85 ALDH1A1 (0.52) CA2FOLH1MEN1ALDH1A1MAPT
SCHEMBL11205359 0.84 MMP2 (0.48) CA2FOLH1TSHRMEN1ALDH1A1
SCHEMBL31572043 0.84 RARB (0.46) RARBTP53TSHRMEN1ALDH1A1
SCHEMBL660558 0.83 HTT (0.47) TP53TSHRMEN1ALDH1A1MAPT
SCHEMBL15697950 0.83 HTT (0.47) TP53TSHRMEN1ALDH1A1MAPT
SCHEMBL15671510 0.82 FPR2 (0.45) CA2FOLH1TSHRMEN1ALDH1A1
SCHEMBL5339629 0.82 TAS1R3 (0.50) MEN1ALDH1A1MAPTKMT2AMAPK1
SCHEMBL15199285 0.81 HSD17B3 (0.54) FOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733037-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1996-09-25 EP disclosed
WO-1995015941-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1995-06-15 WO disclosed