SCHEMBL5855593

SCHEMBL5855593

CCC=CC(CCCCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
TSHR P16473 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTR2A P28223 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
CYP2D6 P10635 2/20 0.37
CSNK1E P49674 1/20 0.36
NAAA Q02083 2/20 0.36
POLB P06746 2/20 0.36
CNR2 P34972 1/20 0.36
KCNH2 Q12809 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5855590 1.00 SIGMAR1 (0.39) SIGMAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL7637463 0.85 NAAA (0.39) SIGMAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL7637461 0.85 NAAA (0.39) SIGMAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5854262 0.84 CSNK1E (0.41) SIGMAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5854268 0.84 CSNK1E (0.41) SIGMAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL28814544 0.83 CYP1A2 (0.47) SIGMAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5854424 0.83 CSNK1E (0.43) SIGMAR1HTR2AOPRM1OPRD1OPRK1
SCHEMBL22612710 0.83 CSNK1E (0.43) SIGMAR1HTR2AOPRM1OPRD1OPRK1
SCHEMBL28495566 0.83 CSNK1E (0.43) SIGMAR1HTR2AOPRM1OPRD1OPRK1
SCHEMBL5854421 0.83 CSNK1E (0.43) SIGMAR1HTR2AOPRM1OPRD1OPRK1

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
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed