SCHEMBL27638611

SCHEMBL27638611

CCC(COC(=O)/C=C\C(=O)O)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 11/20 0.53
▸ TSHR P16473 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 2/20 0.36
▸ CACNA2D1 P54289 2/20 0.34
▸ CACNB3 P54284 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CACNA2D2 Q9NY47 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL27638608 0.93 TSHR (0.46) HCAR2TSHRTDP1ATMCACNA2D1
SCHEMBL11745059 0.87 HCAR2 (0.63) HCAR2TSHRTDP1ATMCYP3A4
SCHEMBL11748250 0.82 HCAR2 (0.52) HCAR2TSHRATMALDH1A1HPGD
SCHEMBL809869 0.81 HCAR2 (0.59) HCAR2TSHRATMALDH1A1HPGD
SCHEMBL809870 0.81 HCAR2 (0.59) HCAR2TSHRATMALDH1A1HPGD
SCHEMBL2021411 0.81 HCAR2 (0.59) HCAR2TSHRATMALDH1A1HPGD
SCHEMBL23494025 0.81 TSHR (0.63) TSHRTDP1ATMCACNA2D1CACNB3
SCHEMBL9576238 0.81 HCAR2 (0.50) HCAR2TSHRATMCYP3A4ALDH1A1
SCHEMBL29220231 0.81 HCAR2 (0.56) HCAR2TSHRTDP1ATMCYP3A4
SCHEMBL11747190 0.80 HCAR2 (0.59) HCAR2TSHRATMALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415778-C Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE S P A (IT) 2008-09-03 — — CN disclosed
CN-1714105-A Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE S P A (IT) 2005-12-28 — — CN disclosed
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