SCHEMBL11245458

SCHEMBL11245458

CCCCCCCCCCCCCCCCNc1ccc(CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
CETP P11597 3/20 0.45
TLR7 Q9NYK1 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIRT2 Q8IXJ6 5/20 0.44
SIRT1 Q96EB6 3/20 0.44
SIRT3 Q9NTG7 3/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL23072450 0.90 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1KMT2AMAPT
SCHEMBL11236735 0.88 HPGD (0.53) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL11237791 0.88 HPGD (0.53) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL11236862 0.88 HPGD (0.53) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL11235830 0.88 HPGD (0.53) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL11240005 0.88 HPGD (0.45) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL11487844 0.85 LMNA (0.47) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL11240923 0.85 PAM (0.51) ALDH1A1TLR7MAPT
SCHEMBL22315768 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL28377661 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1MEN1KMT2A

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