SCHEMBL18092126

SCHEMBL18092126

CCCC1(Oc2ccc(O)c(OC3(CCC)CCCCC3)c2OC2(CCC)CCCCC2)CCCCC1.CCCCC1(Oc2ccc(O)c(OC3(CCCC)CCCCC3)c2OC2(CCCC)CCCCC2)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CETP P11597 2/20 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
SCHEMBL1837986 0.97 CNR2 (0.33) CNR2CNR1MEN1KMT2ACETP
SCHEMBL1836959 0.95 ESR1 (0.30)
SCHEMBL1838847 0.93 CNR1 (0.37) CNR2CNR1MEN1KMT2ACETP
SCHEMBL1839830 0.92 CNR1 (0.39) CNR2CNR1MEN1KMT2ACETP
SCHEMBL1839591 0.85 CETP (0.34) CNR2CNR1MEN1KMT2ACETP
SCHEMBL1836268 0.83 ESR1 (0.32)
SCHEMBL1835721 0.82 KDM4E (0.32) CETP
SCHEMBL1840618 0.82 ESR1 (0.30) CETP
SCHEMBL1837754 0.82 CNR1 (0.36) CNR2CNR1MEN1KMT2ACETP
SCHEMBL1835309 0.81 CNR1 (0.38) CNR2CNR1MEN1KMT2ACETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed