SCHEMBL8904635

SCHEMBL8904635

CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CNC1CCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPRC P08575 2/20 0.35
DPP7 Q9UHL4 1/20 0.35
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
ABCB1 P08183 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 1/20 0.33
NPY2R P49146 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL8718713 0.95 KCNA3 (0.39) KCNA3KDM1AMAOBKMT2AL3MBTL1
SCHEMBL8718708 0.95 KCNA3 (0.39) KCNA3KDM1AMAOBKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7277717 0.78 KDM1A (0.44) KDM1AMAOBKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7323838 0.78 KDM1A (0.44) KDM1AMAOBKMT2AL3MBTL1
SCHEMBL7380787 0.77 EPHX1 (0.38) KMT2AL3MBTL1MEN1ABCB1HRH3
SCHEMBL8712462 0.77 SMYD3 (0.36) L3MBTL1ABCB1HRH3
SCHEMBL8712741 0.76 REN (0.37) KCNA3KDM1AMAOBKMT2AL3MBTL1
SCHEMBL8904832 0.76 REN (0.37) KCNA3KDM1AMAOBKMT2AL3MBTL1
SCHEMBL2394688 0.75 MEN1 (0.47) KMT2APTPRCMEN1
SCHEMBL6262070 0.74 EPHX2 (0.47) PTPRCHRH3

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed