SCHEMBL4467550

SCHEMBL4467550

O=C(N[C@H](Cc1cccc(F)c1)C(=O)O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CTSL P07711 1/20 0.52
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC1A1 P43005 2/20 0.48
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TLR3 O15455 1/20 0.47
KMT2A Q03164 1/20 0.46
ALB P02768 1/20 0.46
IL2 P60568 1/20 0.46
GPR34 Q9UPC5 1/20 0.46
HPGD P15428 1/20 0.46
C3AR1 Q16581 1/20 0.45

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
SCHEMBL4457027 1.00 GAA (0.53) GAACTSLALDH1A1CYP1A2CYP3A4
SCHEMBL4457023 1.00 GAA (0.53) GAACTSLALDH1A1CYP1A2CYP3A4
SCHEMBL4466486 0.87 ALDH1A1 (0.59) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4466483 0.87 ALDH1A1 (0.59) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4474731 0.87 ALDH1A1 (0.59) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4264477 0.85 CTSL (0.67) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4267852 0.85 CTSL (0.67) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4264475 0.85 CTSL (0.67) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL840376 0.84 GAA (0.48) GAACTSLALDH1A1CYP1A2CYP3A4
SCHEMBL839237 0.84 GAA (0.48) GAACTSLALDH1A1CYP1A2CYP3A4

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
US-20090042260-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE (S OR R)-ALPHA-AMINO ACID AND OPTICALLY ACTIVE (R OR S)-ALPHA-AMINO ACID ESTER UBE INDUSTRIES, LTD. (JP) 2009-02-12 US disclosed
EP-1942193-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE (S OR R)-a-AMINO ACID OR OPTICALLY ACTIVE (S OR R)-a -AMINO ACID ESTER Ube Industries, Ltd. (JP) 2008-07-09 EP disclosed