SCHEMBL2956754

SCHEMBL2956754

C/C=C/C(O)C#CCOCCCCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
HTT P42858 2/20 0.37
PTGS1 P23219 1/20 0.35
PPARG P37231 1/20 0.35
OPRK1 P41145 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
LPAR5 Q9H1C0 1/20 0.33
CES2 O00748 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2956756 1.00 USP2 (0.38) USP2HTTPTGS1PPARGOPRK1
SCHEMBL2959956 0.88 HSD17B10 (0.35)
SCHEMBL16408089 0.72 TSHR (0.40) USP2HTTMEN1THRBKMT2A
SCHEMBL20658144 0.70 THRB (0.50) USP2HTTMEN1THRBKMT2A
SCHEMBL3412667 0.67 HTT (0.48) USP2HTTMEN1THRBKMT2A
SCHEMBL30929762 0.66 HTT (0.52) USP2HTTMEN1THRBKMT2A
SCHEMBL31589387 0.66 USP2 (0.46) USP2HTTMEN1THRBKMT2A
SCHEMBL20658174 0.65 TSHR (0.48) USP2HTTMEN1THRBKMT2A
SCHEMBL11315702 0.65 HTT (0.40) USP2HTTMEN1THRBKMT2A
SCHEMBL31589398 0.65 USP2 (0.48) USP2HTTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767639-B2 Unsaturated ethers as perfuming ingredients FIRMENICH SA (CH) 2010-08-03 US disclosed
EP-1784374-B1 UNSATURATED ETHERS AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2008-03-05 EP disclosed
EP-1784374-A2 UNSATURATED ETHERS AS PERFUMING INGREDIENTS Firmenich SA (CH) 2007-05-16 EP disclosed
US-20070087956-A1 UNSATURATED ETHERS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2007-04-19 US disclosed
WO-2006021857-A2 UNSATURATED ETHERS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2006-03-02 WO disclosed