SCHEMBL28635041

SCHEMBL28635041

CCCC/C=C\C=C\CCCCC(OCc1ccccc1)OC(CCCC/C=C/C=C\CCCC)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
CSNK1E P49674 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 2/20 0.35
RCE1 Q9Y256 1/20 0.35
PTGIR P43119 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 2/20 0.34
GPR132 Q9UNW8 1/20 0.34

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
SCHEMBL28734422 0.88 EPHX2 (0.41) FAAHEPHX2
SCHEMBL28734321 0.88 EPHX2 (0.41) FAAHEPHX2
SCHEMBL28734297 0.88 EPHX2 (0.41) FAAHEPHX2
SCHEMBL28734371 0.88 EPHX2 (0.41) FAAHEPHX2
SCHEMBL10389317 0.87 EPHX2 (0.43) FAAHCSNK1EEPHX2
SCHEMBL10389319 0.87 EPHX2 (0.43) FAAHCSNK1EEPHX2
SCHEMBL28633343 0.78 ALDH1A1 (0.40) TSHRALDH1A1PPARGGPR132
SCHEMBL28644346 0.76 ALDH1A1 (0.39) TSHRALDH1A1PPARGGPR132
SCHEMBL28651600 0.76 ALDH1A1 (0.39) TSHRALDH1A1PPARGGPR132
SCHEMBL31259341 0.76 CSNK1E (0.42) CSNK1EALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113443971-A Method for producing alkynylalkoxymethyl ether compound and method for producing conjugated diene compound therefrom 信越化学工业株式会社 2021-09-28 CN disclosed