SCHEMBL4264475

SCHEMBL4264475

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.67
ALDH1A1 P00352 3/20 0.63
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TSHR P16473 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 2/20 0.57
PTPN1 P18031 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MME P08473 1/20 0.55
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CA2 P00918 2/20 0.53
ACE P12821 2/20 0.53
CA1 P00915 1/20 0.53

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
SCHEMBL4264477 1.00 CTSL (0.67) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4267852 1.00 CTSL (0.67) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12016785 0.91 CTSL (0.58) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4460359 0.90 CTSL (0.57) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4466486 0.90 ALDH1A1 (0.59) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4462415 0.90 CTSL (0.57) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4461672 0.90 CTSL (0.57) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4466483 0.90 ALDH1A1 (0.59) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4474731 0.90 ALDH1A1 (0.59) CTSLALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4466196 0.87 NPC1 (0.59) CTSLALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090117626-A1 Process for preparing carboxylic acid using surfactant-modified enzyme UBE INDUSTRIES, LTD. (JP) 2009-05-07 US disclosed
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
EP-1887086-A1 PROCESS FOR PRODUCTION OF CARBOXYLIC ACID USING SURFACTANT-MODIFYING ENZYME Ube Industries, Ltd. (JP) 2008-02-13 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed