SCHEMBL8043548

SCHEMBL8043548

CCC(C)(CC)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
TET2 Q6N021 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL905441 0.87 ALDH1A1 (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL7640876 0.87 ALDH1A1 (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL31462328 0.82 ALDH1A1 (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL905460 0.82 ARG1 (0.34) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL8917782 0.80 CES2 (0.37) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL3053815 0.80 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL6200668 0.79 ARG1 (0.35) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL8746426 0.79 CES2 (0.40) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL8746380 0.79 CES2 (0.40) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL21269649 0.78 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053935-B1 CATALYST COMPOSITION FOR OLEFIN POLYMERIZATION AND APPLICATION OF SAME CHINA PETROLEUM & CHEM CORP (CN) 2019-05-08 EP claimed
EP-0674233-B1 Recording sheets XEROX CORP (US) 2000-05-24 EP claimed
US-6071846-A OLEFIN POLYMERIZATION CATALYST WHICH ALLOWS A POLYOLEFIN TO HAVE HIGH STEREOREGULARITY AND HIGH POLYMERIZATION ACTIVITY; SOLID TITANIUM CATALYST COMPONENT COMPRISES A MAGNESIUM ATOM, TITANIUM ATOM, HALOGEN ATOM AND ELECTRON DONOR TOKUYAMA CORPORATION (JP) 2000-06-06 US disclosed
EP-0739907-B1 An olefin polymerization catalyst and a polyolefin production method TOKUYAMA CORP (JP) 1999-12-01 EP disclosed
EP-0739907-A1 An olefin polymerization catalyst and a polyolefin production method TOKUYAMA CORPORATION (JP) 1996-10-30 EP disclosed
EP-0512211-B1 Process for the preparation of substituted malonic ester anilides and malonic acid monoanilides HUELS CHEMISCHE WERKE AG (DE) 1995-04-12 EP disclosed
EP-0512211-A2 Process for the preparation of substituted malonic ester anilides and malonic acid monoanilides HÜLS AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0119961-B1 OLIGO ESTERS CONTAINING POLYALKYL PIPERIDINE GROUPS CIBA-GEIGY AG (CH) 1988-01-20 EP disclosed
EP-0119961-A1 Oligo esters containing polyalkyl piperidine groups CIBA-GEIGY AG (CH) 1984-09-26 EP disclosed