SCHEMBL17112013

SCHEMBL17112013

CCCC(=O)C(C)CC=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17715201 0.85 CES2 (0.48) CES2CES1TSHRALDH1A1
SCHEMBL445648 0.83 GRIK1 (0.37) GRIK1GRIK2FNTAFNTBTSHR
SCHEMBL14332288 0.79 FNTA (0.36) GRIK1GRIK2FNTAFNTBKDM4E
SCHEMBL18358835 0.79 KDM1A (0.42) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL5069039 0.77 TSHR (0.36) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL10878954 0.75 GRIK1 (0.41) GRIK1GRIK2FNTAFNTBKDM4E
SCHEMBL2440971 0.75 GRIK1 (0.41) GRIK1GRIK2FNTAFNTBKDM4E
SCHEMBL11436935 0.73 GRIK1 (0.34) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL132111 0.73 GRIK1 (0.48) GRIK1GRIK2FNTAFNTBKDM4E
SCHEMBL105901 0.72

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-3122847-A1 PERFUME SYSTEMS The Procter & Gamble Company (US) 2017-02-01 EP claimed
WO-2015148743-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2015-10-01 WO claimed