SCHEMBL8910751

SCHEMBL8910751

CCOC(CN(C(=O)Nc1ccc(C#N)cc1)c1ccc(CCC(=O)OC)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.44
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
CNR1 P21554 1/20 0.37
EPHX2 P34913 1/20 0.37
F2R P25116 1/20 0.36
RORC P51449 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
IL18 Q14116 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
SCHEMBL8911321 0.87 PSMB5 (0.43) PSMB5CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL8912130 0.83 CYP11B1 (0.43) PSMB5CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL8911515 0.81 CYP11B1 (0.41) PSMB5CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL8910856 0.80 CA12 (0.39) PSMB5MAPTF2RPOLBKDM4E
SCHEMBL8910858 0.80 CA12 (0.39) PSMB5MAPTF2RPOLBKDM4E
SCHEMBL8572808 0.79 RORC (0.43) PSMB5F2RRORCPOLBMEN1
SCHEMBL8896307 0.78 ROCK2 (0.45)
SCHEMBL8574241 0.78 CTSS (0.41)
SCHEMBL8574886 0.78 ALDH1A1 (0.41) PSMB5CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL8912795 0.77 EPHX2 (0.41) PSMB5CYP11B1CYP11B2MAPTALDH1A1

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