SCHEMBL7411869

SCHEMBL7411869

CCOC(=O)CC(=O)CC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
MAPT P10636 6/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
POLB P06746 2/20 0.43
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL5094824 0.92 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL7411741 0.84 KMT2A (0.53) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL7409439 0.81 SMN1; SMN2 (0.56) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL7408157 0.81 KMT2A (0.50) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL2036338 0.81 KMT2A (0.54) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL4693404 0.79 MAPT (0.59) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL7410135 0.78 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL25424836 0.78 ALDH1A1 (0.64) ALDH1A1MAPTNPC1RAB9AMAPK1
Malonic Acid Diethyl Ester SCHEMBL9840328 0.78 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL17430618 0.77 SMN1; SMN2 (0.50) ALDH1A1MAPTNPC1RAB9AL3MBTL1

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-4732898-A HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1988-03-22 US disclosed