SCHEMBL4762210

SCHEMBL4762210

CCCCCc1[nH]c(C)cc(=O)c1C(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
OXER1 Q8TDS5 1/20 0.39
GPR84 Q9NQS5 13/20 0.37
KMT2A Q03164 1/20 0.35
ELANE P08246 3/20 0.35

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
SCHEMBL3406838 0.88 KDM4E (0.43) KDM4EPKMOXER1GPR84
SCHEMBL3170365 0.83 MEN1 (0.39) KDM4EPKMKMT2A
SCHEMBL9454685 0.72 ALDH1A1 (0.55) KDM4EKMT2A
SCHEMBL9455142 0.72 ALDH1A1 (0.43) KDM4EPKMKMT2A
SCHEMBL15570393 0.69 HCAR2 (0.40) KDM4E
SCHEMBL9264403 0.68 KDM4E (0.47) KDM4EPKMGPR84
SCHEMBL12989131 0.68 KDM4E (0.47) KDM4EPKMGPR84
SCHEMBL12989313 0.68 KDM4E (0.47) KDM4EPKMGPR84
SCHEMBL4717877 0.68 SMN1; SMN2 (0.31) KMT2A
SCHEMBL23147412 0.68 ALDH1A1 (0.40) KDM4EKMT2A

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-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 EP disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 WO disclosed