SCHEMBL8911510

SCHEMBL8911510

CCOC(=O)CCc1ccc(NC(=O)N(NC(=O)CC)c2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
CYP4Z1 Q86W10 2/20 0.43
PSMB5 P28074 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
RORC P51449 4/20 0.40
POLB P06746 2/20 0.40
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
USP14 P54578 1/20 0.37
CYP4F11 Q9HBI6 1/20 0.37
CYP4F12 Q9HCS2 1/20 0.37

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
SCHEMBL8571795 0.91 MAPT (0.43) ALDH1A1MAPTCYP4Z1PSMB5CYP4F2
SCHEMBL7388699 0.82 CYP11B1 (0.43) ALDH1A1MAPTPSMB5RORCPOLB
SCHEMBL7394542 0.78 CYP11B1 (0.40) ALDH1A1MAPTPSMB5RORCPOLB
SCHEMBL4506493 0.78 CYP4F2 (0.66) ALDH1A1MAPTCYP4Z1CYP4F2CYP4A11
SCHEMBL7396220 0.78 RORC (0.42) ALDH1A1MAPTRORCPOLBSMN1; SMN2
SCHEMBL8912089 0.77 CYP11B1 (0.42) ALDH1A1MAPTPSMB5RORCPOLB
SCHEMBL8912114 0.77 CYP11B1 (0.42) ALDH1A1MAPTPSMB5RORCPOLB
SCHEMBL7388224 0.74 NPY1R (0.41) MAPTPSMB5RORCPOLBSAE1
SCHEMBL7394134 0.74 F2R (0.40) MAPTPSMB5RORCPOLBLMNA
SCHEMBL8910751 0.72 PSMB5 (0.44) ALDH1A1MAPTPSMB5RORCPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed