SCHEMBL839237

SCHEMBL839237

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CTSL P07711 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACACB O00763 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL840376 1.00 GAA (0.48) GAANPC1RAB9ACTSLTSHR
SCHEMBL839741 1.00 GAA (0.48) GAANPC1RAB9ACTSLTSHR
SCHEMBL839454 0.88 CTSL (0.52) GAANPC1RAB9ACTSLTSHR
SCHEMBL839754 0.88 CTSL (0.52) GAANPC1RAB9ACTSLTSHR
SCHEMBL838601 0.88 CTSL (0.52) GAANPC1RAB9ACTSLTSHR
SCHEMBL839112 0.86 CTSL (0.62) GAANPC1RAB9ACTSLTSHR
SCHEMBL838893 0.86 CTSL (0.62) GAANPC1RAB9ACTSLTSHR
SCHEMBL839803 0.86 CTSL (0.62) GAANPC1RAB9ACTSLTSHR
SCHEMBL4457027 0.84 GAA (0.53) GAACTSLTSHRALDH1A1HPGD
SCHEMBL4467550 0.84 GAA (0.53) GAACTSLTSHRALDH1A1HPGD

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 1 patent. 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