SCHEMBL8911091

SCHEMBL8911091

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PSMB5 P28074 1/20 0.38
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RORC P51449 4/20 0.37
SIRT2 Q8IXJ6 3/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
POLB P06746 1/20 0.36
CACNA1B Q00975 2/20 0.36
CACNA1H O95180 1/20 0.36
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR1 P21554 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL8574886 0.94 ALDH1A1 (0.41) ALDH1A1MAPTCYP11B1CYP11B2PSMB5
SCHEMBL8911497 0.91 PSMB5 (0.38) ALDH1A1MAPTCYP11B1CYP11B2PSMB5
SCHEMBL8911515 0.87 CYP11B1 (0.41) ALDH1A1MAPTCYP11B1CYP11B2PSMB5
SCHEMBL8912130 0.85 CYP11B1 (0.43) ALDH1A1MAPTCYP11B1CYP11B2PSMB5
SCHEMBL8911120 0.81 NR1H2 (0.35) ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL8911516 0.81 CYP11B1 (0.38) CYP11B1CYP11B2SIRT2
SCHEMBL8912796 0.81 MEN1 (0.40) ALDH1A1MAPTCYP11B1CYP11B2PSMB5
SCHEMBL8912989 0.81 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2
SCHEMBL8911262 0.81 SIRT2 (0.38) ALDH1A1PSMB5SMN1; SMN2RORCSIRT2
SCHEMBL8912795 0.81 EPHX2 (0.41) ALDH1A1MAPTCYP11B1CYP11B2PSMB5

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