SCHEMBL15850409

SCHEMBL15850409

CCCCCCCCCCCON1C(C)(C)CC(OC(C)=O)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
CES2 O00748 1/20 0.36
EPHX2 P34913 3/20 0.35
NAAA Q02083 3/20 0.35

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
SCHEMBL14706863 1.00 TSHR (0.45) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL185586 0.90 EPHX2 (0.39) EPHX2NAAA
SCHEMBL12047216 0.90 EPHX2 (0.39) EPHX2NAAA
Octane SCHEMBL31147002 0.90 EPHX2 (0.39) EPHX2NAAA
SCHEMBL22699687 0.90 EPHX2 (0.39) EPHX2NAAA
SCHEMBL9272116 0.89 KMT2A (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9272111 0.89 KMT2A (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1232562 0.87 NAAA (0.47) KMT2AMEN1GAAEPHX2NAAA
SCHEMBL13129125 0.87 NAAA (0.40) TSHRKMT2AMEN1GAAEPHX2
SCHEMBL7474989 0.87 NAAA (0.47) KMT2AMEN1GAAEPHX2NAAA

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-2749598-A1 Use of a polylactic acid resin molded article for resin parts for electrical applications Adeka Corporation (JP) 2014-07-02 EP disclosed
EP-2749599-A1 Use of a polylactic acid resin molded article for resin parts for automobiles Adeka Corporation (JP) 2014-07-02 EP disclosed