SCHEMBL839803

SCHEMBL839803

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.62
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 2/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACACB O00763 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL839112 1.00 CTSL (0.62) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL838893 1.00 CTSL (0.62) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL838601 0.90 CTSL (0.52) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL839454 0.90 CTSL (0.52) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL839335 0.90 CTSL (0.52) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL840367 0.90 CTSL (0.52) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL838462 0.90 CTSL (0.52) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL839754 0.90 CTSL (0.52) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28604595 0.89 CTSL (0.65) CTSLCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL840332 0.89 ACACB (0.54) CTSLCYP1A2CYP3A4CYP2D6CYP2C9

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
US-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed
CN-101248184-A Process for production of optically active (S or R)-a-amino acid or optically active (S or R)-a -amino acid ester UBE INDUSTRIES (JP) 2008-08-20 CN disclosed
CN-101180402-A Process for production of carboxylic acid using surfactant-modifying enzyme UBE INDUSTRIES (JP) 2008-05-14 CN disclosed