SCHEMBL5853609

SCHEMBL5853609

CCC=CCCC(CCC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH1 P35367 3/20 0.32
HTR2A P28223 2/20 0.32
FAAH O00519 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5853603 1.00 AOC3 (0.38) AOC3ESR1ESR2CYP1A2CYP3A4
SCHEMBL5853605 0.86 AOC3 (0.38) AOC3ESR1ESR2CYP1A2CYP3A4
SCHEMBL5853598 0.86 AOC3 (0.38) AOC3ESR1ESR2CYP1A2CYP3A4
SCHEMBL1263573 0.82 AOC3 (0.48) AOC3ESR1ESR2LMNASIGMAR1
SCHEMBL9276354 0.80 AOC3 (0.47) AOC3ESR1ESR2LMNASIGMAR1
SCHEMBL4635860 0.80 AOC3 (0.39) AOC3ESR1ESR2CYP1A2CYP3A4
SCHEMBL17183641 0.80 AOC3 (0.39) AOC3ESR1ESR2CYP1A2CYP3A4
SCHEMBL8130424 0.76 CYP1A2 (0.40) AOC3CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5854238 0.76 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5854233 0.76 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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