SCHEMBL8911137

SCHEMBL8911137

COC(=O)CCc1ccc(N(CCOS(C)(=O)=O)C(=O)Nc2ccc(C#N)cc2OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
HTT P42858 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP19A1 P11511 3/20 0.34
CHEK1 O14757 2/20 0.34
KMT2A Q03164 1/20 0.33
EP300 Q09472 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MCHR1 Q99705 1/20 0.33
FFAR1 O14842 1/20 0.33
STS P08842 1/20 0.33
RORC P51449 1/20 0.32

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
SCHEMBL8911120 0.91 NR1H2 (0.35) GCGRHTTNR1H2NR1H3CYP11B1
SCHEMBL8912581 0.88 CYP11B1 (0.37) GCGRCYP11B1CYP11B2CYP19A1CHEK1
SCHEMBL8574886 0.86 ALDH1A1 (0.41) CYP11B1CYP11B2KMT2APOLBALDH1A1
SCHEMBL8911516 0.82 CYP11B1 (0.38) CYP11B1CYP11B2KMT2AEP300
SCHEMBL8911497 0.81 PSMB5 (0.38) CYP11B1CYP11B2POLBALDH1A1MCHR1
SCHEMBL8911091 0.81 ALDH1A1 (0.40) CYP11B1CYP11B2POLBALDH1A1RORC
SCHEMBL8912989 0.80 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1EP300
SCHEMBL8913188 0.80 PTGER1 (0.37) CYP11B1CYP11B2CYP19A1KMT2ALMNA
SCHEMBL8911295 0.78 ALDH1A1 (0.35) NR1H2NR1H3KMT2AALDH1A1HDAC1
SCHEMBL8910536 0.78 MCHR1 (0.38) GCGRNR1H2NR1H3KMT2ALMNA

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