SCHEMBL14967358

SCHEMBL14967358

COC(=O)c1cc(CCc2ccccc2)[nH]c(=O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 12/20 0.58
MMP2 P08253 1/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL14966592 0.84 GPR84 (0.67) GPR84
SCHEMBL9458911 0.81 MPO (0.47) GPR84LMNAKDM4EALDH1A1TSHR
SCHEMBL2585300 0.80 CYP1A2 (0.42) GPR84HPGDLMNAKDM4EALDH1A1
SCHEMBL8007752 0.78 GPR84 (0.52) GPR84CA1CA2
SCHEMBL17395411 0.77 GPR84 (0.44) GPR84LMNAKDM4ECYP4F2CYP4A11
SCHEMBL9412780 0.76 MAPT (0.51) HPGDLMNAKDM4EALDH1A1TSHR
SCHEMBL11858938 0.76 GPR84 (0.68) GPR84
SCHEMBL8884936 0.76 GPR84 (0.50) GPR84MMP2HPGDLMNAALDH1A1
SCHEMBL1928912 0.75 TSHR (0.67) HPGDLMNAALDH1A1MGLLTSHR
SCHEMBL1926802 0.74 CYP4F2 (0.76) HPGDLMNAKDM4EALDH1A1MGLL

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-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed