SCHEMBL8906191

SCHEMBL8906191

CC(C)(C)OC(=O)COC1CCC(NC(=O)c2cc3cc(C#N)cnc3o2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
CETP P11597 3/20 0.38
HPGDS O60760 1/20 0.37
SSTR4 P31391 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8713959 1.00 IRAK4 (0.40) IRAK4NPC1RAB9AKMT2ACETP
SCHEMBL8712889 0.85 HPGDS (0.41) NPC1RAB9AKMT2AHPGDSKDM4E
SCHEMBL8905109 0.85 HPGDS (0.41) NPC1RAB9AKMT2AHPGDSKDM4E
SCHEMBL8904008 0.84 CETP (0.43) NPC1RAB9ACETP
SCHEMBL8715642 0.84 CETP (0.43) NPC1RAB9ACETP
SCHEMBL8904014 0.77 DRD2 (0.39) IRAK4NPC1RAB9ACETPHPGDS
SCHEMBL8713142 0.77 MAPT (0.46) NPC1RAB9AKMT2ACETPKDM4E
SCHEMBL8903418 0.73 DRD2 (0.38) IRAK4NPC1RAB9ACETP
SCHEMBL8903628 0.73 DRD2 (0.49)
SCHEMBL8713035 0.73 DRD2 (0.49)

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