SCHEMBL7401060

SCHEMBL7401060

CC(C)(C)OC(=O)N1CCC(CCc2cc3sc(C(=O)O)cc3s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
GPR119 Q8TDV5 11/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
FAAH O00519 1/20 0.44
GLS O94925 2/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7399174 0.85 ITGB3 (0.46) KDM4EPKMGPR119ITGB3ITGA2B
SCHEMBL7399144 0.85 GLS (0.45) KDM4EPKMGPR119FAAHGLS
SCHEMBL7403703 0.82 FAAH (0.42) KDM4EPKMGPR119FAAHGLS
SCHEMBL7370728 0.81 KDM4E (0.47) KDM4EPKMGPR119FAAH
SCHEMBL7397624 0.79 KDM4E (0.44) KDM4EPKMGPR119FAAHGLS
SCHEMBL8618357 0.78 GLS (0.48) KDM4EPKMGPR119FAAHGLS
Ethylene Glycol SCHEMBL7403700 0.76 GLS (0.38) KDM4EPKMGPR119FAAHGLS
SCHEMBL7445509 0.74 GLS (0.43) KDM4EPKMGPR119FAAHGLS
SCHEMBL9035867 0.74 KDM4E (0.52) KDM4EPKMGPR119FAAH
SCHEMBL1912705 0.73 KDM4E (0.62) KDM4EPKMGPR119FAAHTHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714295-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-12-20 EP disclosed
EP-0714295-A4 1996-07-10 EP disclosed
EP-0714295-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
US-5397791-A Anticoagulants MERCK & CO., INC. (US) 1995-03-14 US disclosed
WO-1995004531-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-02-16 WO disclosed