SCHEMBL7061248

SCHEMBL7061248

C=C(C)C(=O)OC(C#N)CCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
FAAH O00519 2/20 0.39
GPR84 Q9NQS5 7/20 0.37
EPHX2 P34913 1/20 0.37
FFAR1 O14842 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
LMNA P02545 2/20 0.35
CA2 P00918 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 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
SCHEMBL11774722 1.00 TSHR (0.49) TSHRFAAHGPR84EPHX2FFAR1
SCHEMBL528600 0.88 ALDH1A1 (0.39) TSHREPHX2
SCHEMBL7699097 0.81 FAAH (0.40) FAAHGPR84EPHX2FFAR1ZDHHC7
SCHEMBL530118 0.81 TSHR (0.38) TSHR
SCHEMBL1573329 0.81 FAAH (0.40) FAAHGPR84EPHX2FFAR1ZDHHC7
SCHEMBL21853813 0.80 TSHR (0.55) TSHRFAAHGPR84FFAR1ZDHHC7
SCHEMBL21647274 0.80 TSHR (0.55) TSHRFAAHGPR84FFAR1ZDHHC7
SCHEMBL2725427 0.80 TSHR (0.55) TSHRFAAHGPR84FFAR1ZDHHC7
SCHEMBL22572582 0.80 TSHR (0.55) TSHRFAAHGPR84FFAR1ZDHHC7
SCHEMBL22572596 0.80 TSHR (0.55) TSHRFAAHGPR84FFAR1ZDHHC7

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-0933381-B1 HIGHLY SATURATED CARBOXYLATED NITRILE COPOLYMER RUBBER AND PROCESS FOR THE PRODUCTION THEREOF NIPPON ZEON CO (JP) 2003-05-21 EP disclosed
US-6410653-B1 ACRYLONITRILE-BUTADIENE COPOLYMER NIPPON ZEON CO., LTD. (JP) 2002-06-25 US disclosed
EP-0933381-A1 HIGHLY SATURATED CARBOXYLATED NITRILE COPOLYMER RUBBER AND PROCESS FOR THE PRODUCTION THEREOF NIPPON ZEON CO., LTD. (JP) 1999-08-04 EP disclosed