SCHEMBL11236862

SCHEMBL11236862

CCCCCCCCCCNc1ccc(CCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HDAC3 O15379 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CCKBR P32239 1/20 0.44
SIRT2 Q8IXJ6 4/20 0.44
SIRT1 Q96EB6 4/20 0.44
S1PR1 P21453 1/20 0.44
CETP P11597 3/20 0.43
POLB P06746 1/20 0.43
SIRT3 Q9NTG7 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
SCHEMBL11235830 1.00 HPGD (0.53) HPGDMEN1KMT2AALDH1A1HDAC3
SCHEMBL11237791 1.00 HPGD (0.53) HPGDMEN1KMT2AALDH1A1HDAC3
SCHEMBL11236735 1.00 HPGD (0.53) HPGDMEN1KMT2AALDH1A1HDAC3
SCHEMBL11246827 0.88 HPGD (0.46) HPGDMEN1KMT2AALDH1A1S1PR1
SCHEMBL11245458 0.88 ALDH1A1 (0.57) HPGDMEN1KMT2AALDH1A1TDP1
SCHEMBL11238170 0.87 FAAH (0.55) HPGDMEN1KMT2AALDH1A1TDP1
SCHEMBL11236131 0.86 CYP4F2 (0.56) HPGDALDH1A1S1PR1
SCHEMBL11244302 0.86 CYP4F2 (0.56) HPGDALDH1A1S1PR1
SCHEMBL11240733 0.86 CYP4F2 (0.56) HPGDALDH1A1S1PR1
SCHEMBL11243340 0.86 CYP4F2 (0.56) HPGDALDH1A1S1PR1

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