SCHEMBL4581149

SCHEMBL4581149

C=Cc1cc(OCCC(C)CCCC(C)C)c(C=C)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
STING1 Q86WV6 3/20 0.34
FDPS P14324 2/20 0.33
ALOX5 P09917 1/20 0.33
TLR8 Q9NR97 1/20 0.33
C5 P01031 2/20 0.32
EGFR P00533 1/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL489290 0.87 ALOX5 (0.38) TRPV1LMNAKMT2AMEN1CYP3A4
SCHEMBL1203769 0.86 ALDH1A1 (0.49) TRPV1LMNAKMT2ACYP3A4ALOX15
SCHEMBL1304615 0.85 ALOX5 (0.39) TRPV1LMNAFDPSALOX5GAA
SCHEMBL4563455 0.83 ALOX5 (0.41) LMNAKMT2AMEN1CYP3A4ALOX15
SCHEMBL4546501 0.82 HMGCR (0.34) TRPV1LMNACYP3A4FDPSALOX5
SCHEMBL11957249 0.81 HTR2A (0.37) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7133337 0.81 ALOX5 (0.43) LMNAKMT2AMEN1CYP3A4ALOX15
SCHEMBL18804474 0.79 HMGCR (0.44) TRPV1LMNACYP3A4ALOX5KDM4E
SCHEMBL4430873 0.79 LMNA (0.41) TRPV1LMNAFDPSALOX5TLR8
SCHEMBL12884188 0.78 HMGCR (0.42) TRPV1LMNACYP3A4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402717-B2 Method for producing olefin-substituted aromatic or heteroaromatic compounds MERCK PATENT GMBH (DE) 2008-07-22 US disclosed
EP-1307413-B1 METHOD FOR PRODUCING OLEFIN-SUBSTITUTED AROMATIC OR HETEROAROMATIC COMPOUNDS COVION ORGANIC SEMICONDUCTORS (DE) 2005-04-27 EP disclosed
US-20040254388-A1 Method for producing olefin-substituted aromatic or heteroaromatic compounds MERCK PATENT GMBH (DE) 2004-12-16 US disclosed
EP-1307413-A1 METHOD FOR PRODUCING OLEFIN-SUBSTITUTED AROMATIC OR HETEROAROMATIC COMPOUNDS Covion Organic Semiconductors GmbH (DE) 2003-05-07 EP disclosed
WO-2002010093-A1 METHOD FOR PRODUCING OLEFIN-SUBSTITUTED AROMATIC OR HETEROAROMATIC COMPOUNDS COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-02-07 WO disclosed