SCHEMBL16347173

SCHEMBL16347173

CCCCCOC(=O)C1CCCCC1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
PPARG P37231 3/20 0.48
FKBP1A P62942 3/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.44
CETP P11597 3/20 0.44

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
SCHEMBL16344797 0.99 TSHR (0.51) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL16345545 0.99 TSHR (0.51) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL16345449 0.99 TSHR (0.51) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL1664712 0.96 TSHR (0.57) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL17780228 0.96 TSHR (0.57) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL23655138 0.95 TSHR (0.56) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL17780035 0.89 TSHR (0.50) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL17780224 0.88 TSHR (0.51) TSHRCYP3A4MAPK1ALDH1A1TDP1
SCHEMBL16347238 0.86 TSHR (0.55) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL17766262 0.86 TSHR (0.55) TSHRMAPK1ALDH1A1TDP1L3MBTL1

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
EP-3016938-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS Polymer Additives, Inc. (US) 2016-05-11 EP disclosed
WO-2015002746-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS FERRO CORPORATION (US) 2015-01-08 WO disclosed