SCHEMBL9501574

SCHEMBL9501574

CCOC(C(=O)O)C(CC)(OCC)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL1196176 0.77 CPT2 (0.35)
SCHEMBL1197217 0.77 CPT2 (0.35)
SCHEMBL28099053 0.77 CPT2 (0.35)
SCHEMBL387179 0.77 CPT2 (0.35)
SCHEMBL10787564 0.76 PPARA (0.31) EDNRBEDNRA
SCHEMBL29035591 0.75 EDNRB (0.36) EDNRBEDNRA
SCHEMBL28448093 0.73 TSHR (0.34)
Boric Acid SCHEMBL28229200 0.73 CPT2 (0.32)
Boric Acid SCHEMBL28228551 0.73 CPT2 (0.32)
Isopropyl Alcohol SCHEMBL28305980 0.73 CPT2 (0.32)

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
CN-103781850-A Zirconium-containing complex and condensation reaction catalyst, method for preparing the catalyst and composition comprising the catalyst DOW CORNING 2014-05-07 CN disclosed
CN-103781823-A Titanium containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING 2014-05-07 CN disclosed
EP-0285421-B1 METHOD OF PRODUCING PHOSPHATIDIC ACID DERIVATIVES KABUSHIKI KAISHA YAKULT HONSHA (JP) 1993-05-19 EP disclosed
EP-0285421-A2 Method of producing phosphatidic acid derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1988-10-05 EP disclosed