SCHEMBL8911203

SCHEMBL8911203

COC(=O)CCc1ccc(N2CCN(c3ccc(C(=N)NC(=O)C(C)C)cc3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.39
HRH3 Q9Y5N1 1/20 0.37
S1PR1 P21453 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7274577 0.91 HDAC1 (0.42) HDAC1HRH3S1PR1ITGB3ITGA2B
SCHEMBL7275720 0.89 HDAC1 (0.39) HDAC1HRH3S1PR1ITGB3ITGA2B
SCHEMBL7280958 0.87 HDAC1 (0.40) HDAC1HRH3S1PR1ITGB3ITGA2B
SCHEMBL7281398 0.87 HDAC1 (0.39) HDAC1HRH3S1PR1ITGB3ITGA2B
SCHEMBL7283797 0.86 HDAC1 (0.43) HDAC1HRH3S1PR1ITGB3ITGA2B
SCHEMBL7281441 0.83 HDAC1 (0.42) HDAC1TDP1MAPT
Hydrochloric Acid SCHEMBL7272547 0.81 ITGB3 (0.53) HDAC1HRH3ITGB3ITGA2B
SCHEMBL7285022 0.81 CYP4F2 (0.44) HDAC1HRH3S1PR1ITGB3ITGA2B
SCHEMBL7280993 0.81 HDAC1 (0.46) HDAC1HRH3S1PR1ALDH1A1L3MBTL1
SCHEMBL7275502 0.80 S1PR1 (0.44) HDAC1HRH3S1PR1ITGB3ITGA2B

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