SCHEMBL9495446

SCHEMBL9495446

CCC(=O)OCC(=O)Nc1cc(C#N)cc(NC(=O)COC(=O)CC)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.60
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.41
TRPM4 Q8TD43 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
PAX8 Q06710 1/20 0.39

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
Acreozast SCHEMBL6454819 0.86 GPR35 (0.59) GPR35GAATRPM4ALDH1A1HPGD
SCHEMBL9495162 0.83 GPR35 (0.63) GPR35POLBKMT2AMEN1TRPM4
SCHEMBL9495180 0.83 GPR35 (0.58) GPR35KMT2AGAATRPM4ALDH1A1
SCHEMBL10335283 0.82 GPR35 (0.54) GPR35GAAALDH1A1LMNAHPGD
SCHEMBL10339385 0.78 GPR35 (0.53) GPR35POLBKMT2AMEN1GAA
SCHEMBL9024019 0.78 GPR35 (0.50) GPR35TRPM4ALDH1A1HPGDUSP2
SCHEMBL6439833 0.76 GPR35 (0.63) GPR35POLBKMT2AMEN1TRPM4
Lodoxamide Ethyl SCHEMBL667976 0.75 GPR35 (1.00) GPR35KMT2AGAAALDH1A1L3MBTL1
SCHEMBL9234299 0.75 GPR35 (0.49) GPR35KMT2AGAATRPM4ALDH1A1
SCHEMBL11810185 0.71 GPR35 (0.76) GPR35GAAALDH1A1LMNAL3MBTL1

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
EP-0315112-B1 NOVEL AMIDE COMPOUNDS Toyo Boseki Kabushiki Kaisha (JP) 1993-03-17 EP disclosed
US-4912135-A Benzene ring with amido substitutions in position 1 and 3 TOYO BOSEKI KABUSHIKI KAISHA (JP) 1990-03-27 US disclosed
EP-0315112-A2 Novel amide compounds Toyo Boseki Kabushiki Kaisha (JP) 1989-05-10 EP disclosed