SCHEMBL13401900

SCHEMBL13401900

CCCCCOC(=O)C1CCC(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.48
▸ EPHX2 P34913 1/20 0.43
▸ PPARG P37231 3/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CES2 O00748 1/20 0.39

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
SCHEMBL15691940 0.95 ALDH1A1 (0.45) NAAAEPHX2PPARGTSHRHCAR2
SCHEMBL1296331 0.93 NAAA (0.55) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1553673 0.93 NAAA (0.55) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1297175 0.91 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1296605 0.91 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1297108 0.91 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL11823716 0.91 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1296550 0.91 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL11833028 0.91 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1297201 0.91 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR

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-2607451-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2019-01-23 — — EP disclosed
US-7705105-B2 A cyclic polymer of silsesquioxane skeleton with side chains formed byhydrosilation of an unsaturated end group containing an active polymerfunctional group; polyimidesiloxane copolymers; polyestersiloxane copolymers; high molecular weight; thin films; strength; heat resistance;waterproofing; CHISSO PETROCHEMICAL CORPORATION (JP) 2010-04-27 — — US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 — — US disclosed
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