SCHEMBL1935141

SCHEMBL1935141

O=C(O)CC(O)(CCO)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
CPT2 P23786 2/20 0.37
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ACLY P53396 3/20 0.36
MVD P53602 1/20 0.34
CAMK2A Q9UQM7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL28652055 0.85 HMGCR (0.42) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1286781 0.85 MVD (0.49) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8831312 0.85 ALDH1A1 (0.37) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8831620 0.85 ALDH1A1 (0.37) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8831617 0.85 ALDH1A1 (0.37) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10941739 0.80 FFAR1 (0.46) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL880688 0.78 ALDH1A1 (0.56) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL28778994 0.78 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL7654599 0.78 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL7039700 0.77 ALDH1A1 (0.48) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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-2331643-B1 AQUEOUS COATING COMPOSITION COATINGS FOREIGN IP CO LLC (US) 2014-03-05 EP disclosed
EP-2331643-A1 AQUEOUS COATING COMPOSITION E. I. du Pont de Nemours and Company (US) 2011-06-15 EP disclosed
WO-2010028123-A1 AQUEOUS COATING COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-11 WO disclosed
US-20100056706-A1 AQUEOUS COATING COMPOSITION AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2010-03-04 US disclosed
US-20100056724-A1 PROCESS FOR PREPARATION OF AQUEOUS BINDER LATICES AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2010-03-04 US disclosed