SCHEMBL7442546

SCHEMBL7442546

CC(C)(C)OC(=O)N1CCC(CC=C2Cc3ccc(C(=O)O)cc3C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
GPR119 Q8TDV5 13/20 0.44
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
LIMK2 P53671 1/20 0.40
TGFBR1 P36897 1/20 0.40

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
SCHEMBL7433707 0.91 GPR119 (0.45) KDM4EPKMGPR119LIMK2
SCHEMBL24569257 0.85 ACHE (0.55) KDM4EPKMGPR119TGFBR1
SCHEMBL7436837 0.77 GPR119 (0.48) KDM4EPKMGPR119TSHR
SCHEMBL7440251 0.75 KDM4E (0.53) KDM4EPKMGPR119KMT2A
SCHEMBL24569259 0.72 KDM4E (0.54) KDM4EPKMGPR119TGFBR1
SCHEMBL1252952 0.70 KDM4E (0.57) KDM4EPKMGPR119KMT2A
SCHEMBL22770407 0.70 USP30 (0.43) GPR119TSHRKMT2A
SCHEMBL29605324 0.70 USP30 (0.43) GPR119TSHRKMT2A
SCHEMBL19067521 0.70 KDM4E (0.51) KDM4EPKMGPR119KMT2A
SCHEMBL12736015 0.69 KDM4E (0.56) 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