SCHEMBL3406838

SCHEMBL3406838

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
HCAR3 P49019 1/20 0.41
OXER1 Q8TDS5 1/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
GPR84 Q9NQS5 7/20 0.39

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
SCHEMBL4762210 0.88 KDM4E (0.41) KDM4EPKMOXER1GPR84
SCHEMBL15570393 0.80 HCAR2 (0.40) KDM4EHCAR2
SCHEMBL23147412 0.76 ALDH1A1 (0.40) KDM4EHCAR2
SCHEMBL9454685 0.74 ALDH1A1 (0.55) KDM4E
SCHEMBL10468545 0.73 GPR84 (0.45) KDM4EBIDMCL1BCL2L1BAK1
SCHEMBL10686284 0.72 NOTUM (0.45) KDM4EHCAR2
SCHEMBL12989313 0.70 KDM4E (0.47) KDM4EPKMGPR84
SCHEMBL9264403 0.70 KDM4E (0.47) KDM4EPKMGPR84
SCHEMBL12989131 0.70 KDM4E (0.47) KDM4EPKMGPR84
SCHEMBL15569668 0.69 ALDH1A1 (0.36) KDM4EPKMHCAR3

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
EP-2261211-A1 1,4-dihydropyridine derivatives and their uses Université de Lille 2 Droit et Santé (FR) 2010-12-15 EP disclosed