SCHEMBL11240238

SCHEMBL11240238

CCCCCCCCCC(N=C=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.44
NAAA Q02083 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
HTR2A P28223 1/20 0.39
ASAH1 Q13510 2/20 0.38
KCNH2 Q12809 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CSNK1E P49674 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ACER2 Q5QJU3 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
POLB P06746 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL380831 0.98 MIF (0.45) MIFNAAAOPRM1OPRD1OPRK1
SCHEMBL6744506 0.86 MIF (0.49) MIFOPRM1OPRD1OPRK1OPRL1
SCHEMBL17274465 0.84 MIF (0.65) MIFNAAAOPRM1OPRD1OPRK1
SCHEMBL11231906 0.83 CYP3A4 (0.39) PRSS1PRSS2PRSS3
SCHEMBL4304143 0.82 MIF (0.45) MIFNAAAOPRM1OPRD1OPRK1
SCHEMBL7808 0.82 MIF (0.67) MIFNAAAOPRM1OPRD1OPRK1
SCHEMBL6970517 0.79 MIF (0.67) MIFPOLBMEN1KMT2A
SCHEMBL957752 0.79 MIF (0.67) MIFPOLBMEN1KMT2A
SCHEMBL727626 0.79 MIF (0.67) MIFPOLBMEN1KMT2A
SCHEMBL22444459 0.79 TSHR (0.40) NAAAPRSS1PRSS2PRSS3ALDH1A1

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
US-4317756-A Sizing composition comprising a hydrophobic cellulose-reactive sizing agent and a cationic polymer HERCULES INCORPORATED (US) 1982-03-02 US disclosed