SCHEMBL14764308

SCHEMBL14764308

O=C(O)CC(=O)C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ACLY P53396 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
Acetic Acid SCHEMBL18317567 0.94 CYP2D6 (0.34) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL27415345 0.87 ALDH1A1 (0.40) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL2768230 0.86 CYP2D6 (0.34) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL1641740 0.84 ALDH1A1 (0.42) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL1641737 0.80 ALDH1A1 (0.39) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL673750 0.78 ALDH1A1 (0.37) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL16393918 0.78 ALDH1A1 (0.37) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL20912559 0.78 CYP2C19 (0.44) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL28799874 0.78 ALDH1A1 (0.40) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL8442298 0.78 ALDH1A1 (0.40) ALDH1A1ACLYCYP2D6TSHRCYP2C19

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
EP-3013971-A1 RECOMBINANT PLANTS AND MICROORGANISMS HAVING A REVERSE GLYOXYLATE SHUNT The Regents of The University of California (US) 2016-05-04 EP disclosed
EP-2833727-A1 PROCESS FOR THE PREPARATION OF A FOOD PRODUCT Friesland Brands B.V. (NL) 2015-02-11 EP disclosed
WO-2014210587-A1 RECOMBINANT PLANTS AND MICROORGANISMS HAVING A REVERSE GLYOXYLATE SHUNT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-31 WO disclosed
WO-2013151438-A1 PROCESS FOR THE PREPARATION OF A FOOD PRODUCT STICHTING TOP INSTITUTE FOOD AND NUTRITION (NL) 2013-10-10 WO disclosed
WO-2013036764-A1 EUKARYOTIC ORGANISMS AND METHODS FOR PRODUCING 1,3-BUTANEDIOL Genomatica, Inc (US) 2013-03-14 WO disclosed