SCHEMBL14779702

SCHEMBL14779702

CCCCCC(CC)(OC)OC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 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
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL14778713 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL14778386 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL14777756 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL3254143 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL14778483 0.89 TSHR (0.39) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL11791516 0.87 HTT (0.45) TSHRTHRBALDH1A1TDP1CES2
SCHEMBL19390709 0.86 TSHR (0.44) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL10839797 0.86 TSHR (0.37) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL29095988 0.86 TSHR (0.44) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL29095994 0.86 TSHR (0.44) TSHRTHRBFDPSGGPS1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2634180-A1 Enzymatic process for the preparation of butyrolactones Lonza Ltd. (CH) 2013-09-04 EP disclosed
CN-103012628-A Solid catalyst for olefin polymerization and process for producing olefin polymer SUMITOMO CHEMICAL CO 2013-04-03 CN disclosed
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed