SCHEMBL11259082

SCHEMBL11259082

N#CCCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ MAPT P10636 1/20 0.58
▸ LIMK2 P53671 4/20 0.55
▸ LIMK1 P53667 3/20 0.55
▸ POLB P06746 2/20 0.52
▸ AR P10275 1/20 0.48
▸ CTSL P07711 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ AGER Q15109 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL11320468 0.82 AGER (0.50) LIMK2LIMK1AGERHDAC1HDAC6
SCHEMBL11224728 0.81 TMEM97 (0.49) MAPTLIMK2LIMK1AGERHDAC1
SCHEMBL22591141 0.78 LPAR1 (0.56) ALDH1A1LIMK2LIMK1AGERHDAC1
SCHEMBL11329956 0.76 MEN1 (0.48) NPC1L3MBTL1MAPTPOLBAGER
SCHEMBL10888540 0.75 ALDH1A1 (0.51) ALDH1A1NPC1L3MBTL1MAPTLIMK2
SCHEMBL11496730 0.75 ALDH1A1 (0.43) ALDH1A1NPC1L3MBTL1MAPTLIMK2
SCHEMBL9132014 0.75 HDAC1 (0.63) ALDH1A1LIMK2LIMK1HDAC1HDAC6
SCHEMBL3126416 0.74 LPAR1 (0.57) POLBMEN1KMT2A
SCHEMBL11496728 0.74 ALDH1A1 (0.46) ALDH1A1NPC1L3MBTL1MAPTPOLB
SCHEMBL11320955 0.73 OPRD1 (0.44) LIMK2LIMK1AGERHDAC1HDAC6

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-0002836-B1 ACYLHYDROCARBYLAMINOALCANECARBOXYLIC ACIDS, THEIR PREPARATION AND THEIR USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-10-27 — — EP disclosed
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 — — US disclosed
EP-0002836-A1 Acylhydrocarbylaminoalcanecarboxylic acids, their preparation and their use, and pharmaceutical compositions containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-07-11 — — EP disclosed
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