SCHEMBL11240005

SCHEMBL11240005

CCCCCCCCCCCCCCCNc1ccc(CC(=O)OCc2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
NAAA Q02083 1/20 0.44
CYP19A1 P11511 1/20 0.43
NAMPT P43490 1/20 0.43
TLR7 Q9NYK1 6/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.40
ROCK2 O75116 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL11246827 0.88 HPGD (0.46) HPGDNAAANAMPTALDH1A1FAAH
SCHEMBL11245458 0.88 ALDH1A1 (0.57) HPGDTLR7MAPTALDH1A1MAPK1
SCHEMBL11487844 0.83 LMNA (0.47) HPGDNAAAALDH1A1MAPK1MEN1
SCHEMBL11240923 0.80 PAM (0.51) TLR7MAPTALDH1A1
SCHEMBL11491096 0.79 ALDH1A1 (0.47) HPGDALDH1A1MAPK1FAAHMEN1
SCHEMBL11479562 0.79 ALDH1A1 (0.47) HPGDALDH1A1MAPK1FAAHMEN1
SCHEMBL11477434 0.79 ALDH1A1 (0.47) HPGDALDH1A1MAPK1FAAHMEN1
Bromide SCHEMBL11476767 0.78 ALDH1A1 (0.46) HPGDALDH1A1MAPK1FAAHMEN1
Bromide SCHEMBL11482043 0.78 ALDH1A1 (0.46) HPGDALDH1A1MAPK1FAAHMEN1
SCHEMBL5458743 0.78 MAPT (0.60) HPGDTLR7MAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed