SCHEMBL8911515

SCHEMBL8911515

COC(=O)CCc1ccc(N(CCCO)C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PSMB5 P28074 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.39
EPHX2 P34913 1/20 0.39
MCHR1 Q99705 3/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8912130 0.94 CYP11B1 (0.43) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8912795 0.90 EPHX2 (0.41) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8911091 0.87 ALDH1A1 (0.40) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8574886 0.84 ALDH1A1 (0.41) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8911321 0.84 PSMB5 (0.43) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8910751 0.81 PSMB5 (0.44) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8911497 0.81 PSMB5 (0.38) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8911251 0.79 FFAR1 (0.39) CYP11B1CYP11B2MAPTMCHR1KMT2A
SCHEMBL8912348 0.79 CYP11B1 (0.40) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8912807 0.79 CYP11B1 (0.44) CYP11B1CYP11B2KMT2AMEN1

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