SCHEMBL7515480

SCHEMBL7515480

NOC(=O)C(CO)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 4/20 0.56
CYP1A2 P05177 1/20 0.55
CPA1 P15085 6/20 0.49
CPA3 P15088 3/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
FOLH1 Q04609 1/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
PSAT1 Q9Y617 2/20 0.46
MME P08473 1/20 0.44

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
SCHEMBL8106533 0.85 CYP1A2 (0.59) SRRCYP1A2CPA1CPA3SLC1A3
SCHEMBL3596338 0.82 ALDH1A1 (0.57) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL3184765 0.81 PPARG (0.57) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL3830894 0.80 SLC1A1 (0.73) SRRCYP1A2CPA1CPA3SLC1A3
SCHEMBL28560678 0.80 SRR (0.50) SRRCYP1A2CPA1CPA3SLC1A3
SCHEMBL1059561 0.79 CYP1A2 (0.61) SRRCYP1A2CPA1CPA3SLC1A3
SCHEMBL27518048 0.79 CYP1A2 (0.52) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27556236 0.79 SLC15A1 (0.63) SRRCYP1A2CPA1CPA3CPB1
SCHEMBL839261 0.79 CYP1A2 (0.79) CYP1A2CPA1CPA3SLC1A3SLC1A2
SCHEMBL8106525 0.79 CYP1A2 (0.79) CYP1A2CPA1CPA3SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906900-B1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid AJINOMOTO KK (JP) 2002-01-23 EP disclosed
US-6028217-A CHEMICAL INTERMEDIATE FOR RENIN INHIBITOR OR ENKEPHALINASE ENZYME INHIBITOR AJINOMOTO CO., INC. (JP) 2000-02-22 US disclosed
EP-0906900-A1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid Ajinomoto Co., Inc. (JP) 1999-04-07 EP disclosed