SCHEMBL869890

SCHEMBL869890

CC(C)(S)CC(=O)O.CC(C)(S)CC(=O)O.CC(C)(S)CC(=O)O.CCC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
FFAR3 O14843 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 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
SCHEMBL869582 1.00 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL869206 0.89
Hydrochloric Acid SCHEMBL7712977 0.87
SCHEMBL869495 0.82 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL869226 0.82 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ATSHR
Ethylene Glycol SCHEMBL869222 0.82 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ATSHR
T-Butylacetic Acid SCHEMBL31223224 0.80 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL868389 0.78 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL869483 0.78 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL19433049 0.78 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436715-B1 EPOXY RESIN-BASED COATING COMPOSITION SHOWA DENKO KK (JP) 2016-08-24 EP claimed
US-8865801-B2 Epoxy resin-based coating composition SHOWA DENKO K.K. (JP) 2014-10-21 US claimed
US-20120077903-A1 EPOXY RESIN-BASED COATING COMPOSITION SHOWA DENKO K.K. (JP) 2012-03-29 US claimed
EP-2436715-B1 EPOXY RESIN-BASED COATING COMPOSITION SHOWA DENKO KK (JP) 2016-08-24 EP disclosed
US-8865801-B2 Epoxy resin-based coating composition SHOWA DENKO K.K. (JP) 2014-10-21 US disclosed
US-20120077903-A1 EPOXY RESIN-BASED COATING COMPOSITION SHOWA DENKO K.K. (JP) 2012-03-29 US disclosed