SCHEMBL9750720

SCHEMBL9750720

CCCCCC(C)(C)COCC(C)(C)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 11/20 0.33
GGPS1 O95749 7/20 0.33
SMPD1 P17405 3/20 0.33
CES1 P23141 1/20 0.33
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL27805429 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL9451864 0.92 TSHR (0.32) TSHRTHRBFDPSCES1
SCHEMBL10141486 0.90 TSHR (0.32) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL15201755 0.88 TSHR (0.36) TSHRTHRBFDPSGGPS1SMPD1
Ammonia Solution, Strong SCHEMBL28650831 0.86 TSHR (0.35) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL10141936 0.83 L3MBTL1 (0.33)
SCHEMBL12092743 0.82 SPHK2 (0.34) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL8412693 0.82 TSHR (0.33) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL18737056 0.81 L3MBTL1 (0.32) TSHRTHRBGGPS1SMPD1CES1
SCHEMBL7760665 0.80 LMNA (0.34) TSHR

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
JP-62212335-A None JP disclosed
EP-0284005-B1 METHOD OF PRODUCTION OF POLYOLEFINS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-12-18 EP disclosed
US-4981930-A POLYMERIZATION CATALYSTS IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-01-01 US disclosed
US-4782094-A Difluorobromomethoxyphenyl derivative and miticide comprising said derivative as active ingredient MITSUI TOATSU CHEMICALS, INC. (JP) 1988-11-01 US disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 EP disclosed
JP-S62212335-A 2-ARYL-2-METHYLPROPYL ETHER DERIVATIVE AND INSECTICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT MITSUI TOATSU CHEM INC 1987-09-18 JP disclosed