SCHEMBL9799758

SCHEMBL9799758

CCCC/C=C(\C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
GRIK1 P39086 1/20 0.33
CTSK P43235 8/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 3/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL9799762 1.00 EP300 (0.36) EP300GRIK1CTSKALDH1A1TSHR
SCHEMBL7429328 0.95 EP300 (0.43) EP300CYP2D6CYP2C19
SCHEMBL7429337 0.95 EP300 (0.43) EP300CYP2D6CYP2C19
SCHEMBL28324880 0.93 EP300 (0.46) EP300F7F3CYP2D6CYP2C19
SCHEMBL28107319 0.84 EP300 (0.35) EP300GRIK1ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL28055940 0.81 TSHR (0.36) EP300ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL28107298 0.81 EP300 (0.33) EP300GRIK1ALDH1A1
SCHEMBL7754867 0.80 EP300 (0.41) EP300GRIK1ALDH1A1TSHRF7
SCHEMBL7303141 0.80 DGAT1 (0.31)
SCHEMBL7303138 0.80 DGAT1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008432-A Reacting olefinically unsaturated compounds such as esters, acids, ketones, nitriles, carbamates, nitro and sulfoxides with hydrogen sulfide in presence of magnesium oxide catalyst PHILLIPS PETROLEUM COMPANY (US) 1991-04-16 US disclosed
EP-0208323-B1 SULPHUR COMPOUND PRODUCTION PHILLIPS PETROLEUM COMPANY (US) 1991-03-06 EP disclosed
EP-0208323-A1 Sulphur compound production PHILLIPS PETROLEUM COMPANY (US) 1987-01-14 EP disclosed
US-4433134-A POLYOXYALKYLENEPOLYOL PHILLIPS PETROLEUM COMPANY (US) 1984-02-21 US disclosed
US-4307225-A STORAGE STABLE PHILLIPS PETROLEUM COMPANY (US) 1981-12-22 US disclosed
US-4232167-A Preparation of alkyl mercaptocarboxylate/dialkyl thiodicarboxylate mixture using sulfur and/or water cocatalyst PHILLIPS PETROLEUM COMPANY (US) 1980-11-04 US disclosed
US-4113707-A Poly(oxyalkylene)-polyester-poly(sulfide)-polythiol prepared by ester interchange PHILLIPS PETROLEUM COMPANY (US) 1978-09-12 US disclosed