SCHEMBL11220562

SCHEMBL11220562

Cc1cccc(C)c1N(CCC(=O)O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ F2 P00734 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ PTGIR P43119 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL11311686 0.92 PTGIR (0.41) HTTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11116763 0.90 HDAC6 (0.43) HTTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11321942 0.87 PTGIR (0.39) HTTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11310145 0.86 NPSR1 (0.45) HTTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11234974 0.86 MAPK14 (0.38) HTTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11314723 0.85 SMN1; SMN2 (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1MEN1
SCHEMBL11314690 0.84 HDAC6 (0.39) HTTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11325054 0.84 NPSR1 (0.39) HTTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11220495 0.84 NPSR1 (0.45) HTTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11317151 0.82 NPC1 (0.39) NPC1KDM4ERAB9ASMN1; SMN2NPSR1

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
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