SCHEMBL599201

SCHEMBL599201

CC[C@](C)(C(=O)O)[C@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
PGD P52209 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL8567184 1.00 TSHR (0.35) TSHRALDH1A1TP53CYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL27515446 0.98 TSHR (0.33) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL277198 0.82 TSHR (0.36) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL11414967 0.82 TSHR (0.36) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL8570869 0.81 ACACB (0.35) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL28094878 0.80 ALDH1A1 (0.35) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL9710095 0.78 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL6195441 0.78 CPT2 (0.40) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL15389946 0.78 TSHR (0.33) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL17938010 0.78 RNPEP (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524476-B2 Bacterium producing a product of a reaction catalyzed by a protein having 2-oxoglutarate-dependent enzyme activity and a method for manufacturing the product AJINOMOTO CO., INC. (JP) 2013-09-03 US disclosed
US-8114651-B2 Method for producing 4-hydroxy-L-isoleucine AJINOMOTO CO., INC. (JP) 2012-02-14 US disclosed
WO-2011021717-A2 METHOD FOR PRODUCING HYDROXYLATED AMINO ACIDS AJINOMOTO CO.,INC. (JP) 2011-02-24 WO disclosed
US-20100330622-A1 BACTERIUM PRODUCING A PRODUCT OF A REACTION CATALYZED BY A PROTEIN HAVING 2-OXOGLUTARATE-DEPENDENT ENZYME ACTIVITY AND A METHOD FOR MANUFACTURING THE PRODUCT AJINOMOTO CO., INC. (JP) 2010-12-30 US disclosed