SCHEMBL11087644

SCHEMBL11087644

CC(C)CCNC(=O)c1ccccc1C(=O)NCCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
KCNA5 P22460 8/20 0.59
KMT2A Q03164 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL11087638 0.93 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KCNA5KMT2A
SCHEMBL10099558 0.90 HPGD (0.59) NPC1RAB9ASMN1; SMN2KCNA5KMT2A
SCHEMBL2210472 0.88 HPGD (0.62) NPC1RAB9ASMN1; SMN2KCNA5KMT2A
SCHEMBL24142285 0.88 KCNA5 (0.60) NPC1RAB9ASMN1; SMN2KCNA5KMT2A
SCHEMBL24142312 0.87 KMT2A (0.55) NPC1RAB9ASMN1; SMN2KCNA5KMT2A
SCHEMBL24141991 0.85 KCNA5 (0.53) NPC1RAB9ASMN1; SMN2KCNA5KMT2A
SCHEMBL4518447 0.85 HPGD (0.60) NPC1KCNA5KMT2AL3MBTL1HPGD
SCHEMBL496789 0.83 SMN1; SMN2 (0.81) NPC1RAB9ASMN1; SMN2KCNA5HTT
SCHEMBL27647723 0.82 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2KCNA5KMT2A
SCHEMBL31055402 0.81 HPGD (0.54) NPC1RAB9ASMN1; SMN2KCNA5KMT2A

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-4473491-A Alkanolamine salts of cyclic amide acids and their use as metal corrosion inhibitors in aqueous systems BASF AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed
EP-0031924-B1 USE OF ALCANOL-AMINE SALTS OF CYCLIC AMIDOCARBOXYLIC ACIDS AS CORROSION INHIBITORS IN AQUEOUS SYSTEMS BASF Aktiengesellschaft (DE) 1983-05-18 EP disclosed
EP-0031924-A1 Use of alcanol-amine salts of cyclic amidocarboxylic acids as corrosion inhibitors in aqueous systems BASF Aktiengesellschaft (DE) 1981-07-15 EP disclosed