SCHEMBL11229708

SCHEMBL11229708

CCOC(=O)CNC(=O)CCCN(C(=O)c1ccc(Cl)cc1)c1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CFTR P13569 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ PPID Q08752 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL11314690 0.87 HDAC6 (0.39) HTTPOLBHDAC6NPSR1
SCHEMBL11310121 0.87 HTT (0.44) GAAHTTMEN1KMT2ACFTR
SCHEMBL11317140 0.85 CFTR (0.43) CFTRTP53
SCHEMBL11314738 0.84 HSP90AA1 (0.42) HTTMEN1KMT2APOLBHDAC6
SCHEMBL11327193 0.83 CFTR (0.41) GAAMEN1KMT2ACFTRHDAC6
SCHEMBL11327162 0.83 CFTR (0.43) CFTRNPSR1
SCHEMBL11323663 0.82 PTGIR (0.44) GAAMEN1KMT2ACFTRTP53
SCHEMBL11314723 0.81 SMN1; SMN2 (0.43) MEN1KMT2APOLBHDAC6NPSR1
SCHEMBL11570874 0.81 S1PR1 (0.37) HTTMEN1KMT2ACFTRTP53
SCHEMBL11322957 0.80 NPSR1 (0.43) HTTMEN1KMT2APOLBHDAC6

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-0003056-B1 N-SUBSTITUTED OMEGA-AMINOALKANOYL-OMEGA-AMINOALKANECARBOXYLIC ACIDS, THEIR APPLICATION AND PROCESS FOR THEIR PREPARATION, AND MEDICINES CONTAINING THESE COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-08-18 — — EP disclosed
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 — — US disclosed
EP-0003056-A1 N-substituted omega-aminoalkanoyl-omega-aminoalkanecarboxylic acids, their application and process for their preparation, and medicines containing these compounds Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-07-25 — — EP disclosed
Send feedback