SCHEMBL11523822

SCHEMBL11523822

CC(=O)COc1ccc(C)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
ABCB1 P08183 2/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK8 P45983 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL14273072 0.87 PTGDR2 (0.57) L3MBTL1KDM4EPTGDR2SMN1; SMN2
SCHEMBL15296803 0.87 ABCB1 (0.55) L3MBTL1PTGDR2KMT2ALMNAMAPT
SCHEMBL7860492 0.83 MAPK1 (0.51) ALDH1A1MAPK1HSD17B10KMT2ALMNA
SCHEMBL8376379 0.82 MEN1 (0.43) L3MBTL1ALDH1A1KDM4EMAPK1KMT2A
SCHEMBL12180298 0.81 MAPT (0.51) L3MBTL1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL27540093 0.81 KMT2A (0.45) L3MBTL1ALDH1A1KDM4EPTGDR2KMT2A
SCHEMBL16220554 0.80 MEN1 (0.59) ALDH1A1HPGDHSD17B10KMT2ALMNA
SCHEMBL9628911 0.79 ALDH1A1 (0.44) L3MBTL1ALDH1A1HPGDKDM4EMAPK1
SCHEMBL2190365 0.79 ACHE (0.59) ALDH1A1MAPK1MAPTHTTMAPK8
SCHEMBL7718767 0.78 MAPT (0.59) L3MBTL1ALDH1A1KDM4EKMT2ALMNA

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-4137328-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1979-01-30 US disclosed