SCHEMBL11178271

SCHEMBL11178271

CCOC(=O)c1ccc(NCCCCCCCCCCCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
SMN1; SMN2 Q16637 7/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 7/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 1/20 0.54
TBXA2R P21731 1/20 0.52
MAPT P10636 3/20 0.51
NHERF1 O14745 1/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 2/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL11395367 0.92 PKM (0.61) PKMSMN1; SMN2CA12CA9ALDH1A1
SCHEMBL11179269 0.86 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL11184400 0.84 ALDH1A1 (0.64) PKMSMN1; SMN2CA12CA9ALDH1A1
Ethyl Benzoate SCHEMBL23495786 0.83 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL11261832 0.81 MAPT (0.60) SMN1; SMN2ALDH1A1MAPTMAPK1GAA
SCHEMBL11251983 0.81 MAPT (0.60) SMN1; SMN2ALDH1A1MAPTMAPK1GAA
SCHEMBL11257955 0.81 MAPT (0.60) SMN1; SMN2ALDH1A1MAPTMAPK1GAA
SCHEMBL11266909 0.81 MAPT (0.60) SMN1; SMN2ALDH1A1MAPTMAPK1GAA
SCHEMBL11272655 0.81 MAPT (0.60) SMN1; SMN2ALDH1A1MAPTMAPK1GAA
SCHEMBL7782225 0.80 NHERF1 (0.76) PKMSMN1; SMN2CA12CA9ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4411903-A 4-[(Monosubstituted-alkyl)amino]benzoic acids and analogs as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1983-10-25 US disclosed
US-4311846-A 4-[(Monosubstituted-alkyl) amino]benzoic acids and analogs as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1982-01-19 US disclosed
US-4245097-A 4-[(Monosubstituted-alkyl) amino] benzoic acids and analogs as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1981-01-13 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed