SCHEMBL11257955

SCHEMBL11257955

CCOC(=O)c1ccc(NCCCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KMT2A Q03164 7/20 0.60
MEN1 O00255 5/20 0.60
ALDH1A1 P00352 4/20 0.60
GAA P10253 2/20 0.60
ALOX12 P18054 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.56
NAMPT P43490 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
ABCB11 O95342 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2B P18089 1/20 0.51
OPRD1 P41143 1/20 0.51
SCN5A Q14524 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPK1 P28482 2/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 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
SCHEMBL11266909 1.00 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11251983 1.00 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11261832 1.00 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11272655 1.00 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11270209 0.95 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11179269 0.91 SMN1; SMN2 (0.63) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11256344 0.89 MAPT (0.69) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11470215 0.88 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1GAA
Ethyl Benzoate SCHEMBL23495786 0.87 SMN1; SMN2 (0.60) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11579617 0.86 CA1 (0.49) MAPTKMT2AMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350822-A Antilipidemicpara-[aryl(alkyl or alkenyl)amino]benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-21 US disclosed
US-4185115-A Antilipidemic para-[aryl(alkyl or alkenyl)amino]-benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1980-01-22 US disclosed