SCHEMBL7440251

SCHEMBL7440251

CC(C)(C)OC(=O)N1CCC(CCC2Cc3ccc(C(=O)O)cc3C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
GPR119 Q8TDV5 15/20 0.52
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7437137 0.89 KDM4E (0.51) KDM4EPKMGPR119KMT2ANPC1
SCHEMBL24664329 0.84 KDM4E (0.60) KDM4EPKMGPR119
SCHEMBL7436837 0.83 GPR119 (0.48) KDM4EPKMGPR119
SCHEMBL12736015 0.80 KDM4E (0.56) KDM4EPKMGPR119KMT2A
SCHEMBL1789709 0.79 ESR2 (0.60) KDM4EPKMGPR119KMT2ANPC1
SCHEMBL1532734 0.78 KDM4E (0.57) KDM4EPKMGPR119KMT2A
SCHEMBL1252952 0.78 KDM4E (0.57) KDM4EPKMGPR119KMT2A
SCHEMBL7402191 0.78 GPR119 (0.55) KDM4EPKMGPR119KMT2A
SCHEMBL16385072 0.78 GPR119 (0.67) KDM4EPKMGPR119
SCHEMBL7370728 0.78 KDM4E (0.47) KDM4EPKMGPR119KMT2A

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-5525617-A ANTICOAGULANT MERCK & CO., INC. (US) 1996-06-11 US disclosed