SCHEMBL11240923

SCHEMBL11240923

CCCCCCCCCCCCCCCCNc1ccc(CC(=O)OCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAM P19021 3/20 0.51
MAPT P10636 1/20 0.48
KLK7 P49862 2/20 0.44
ALDH1A1 P00352 1/20 0.43
PLA2G4B P0C869 1/20 0.43
TLR7 Q9NYK1 2/20 0.42

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
SCHEMBL11242059 0.87 PAM (0.52) PAMALDH1A1
SCHEMBL11245458 0.85 ALDH1A1 (0.57) MAPTALDH1A1TLR7
SCHEMBL11227278 0.84 ALDH1A1 (0.60) ALDH1A1PLA2G4B
SCHEMBL11235833 0.84 ALDH1A1 (0.60) ALDH1A1PLA2G4B
SCHEMBL10576685 0.84 ALDH1A1 (0.60) ALDH1A1PLA2G4B
SCHEMBL11235403 0.84 ALDH1A1 (0.60) ALDH1A1PLA2G4B
SCHEMBL11240393 0.84 ALDH1A1 (0.60) ALDH1A1PLA2G4B
SCHEMBL11234116 0.84 ALDH1A1 (0.60) ALDH1A1PLA2G4B
SCHEMBL11242222 0.84 ALDH1A1 (0.60) ALDH1A1PLA2G4B
Hydrochloric Acid SCHEMBL11237558 0.83 ALDH1A1 (0.58) ALDH1A1PLA2G4B

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