SCHEMBL8685381

SCHEMBL8685381

COc1ccccc1Cn1ccc2c(C=O)cccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DBH P09172 1/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 4/20 0.44
HTR2C P28335 1/20 0.44
TP53 P04637 2/20 0.43
TLR2 O60603 1/20 0.42
ERN1 O75460 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL8685828 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL8685597 0.85 ALDH1A1 (0.48) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL8690882 0.84 TDP1 (0.65) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL2646681 0.80 ALDH1A1 (0.52) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL8685734 0.80 ALDH1A1 (0.49) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL8685573 0.80 ALDH1A1 (0.71) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL8690561 0.80 CHRNB2 (0.48) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL8687046 0.79 PARP1 (0.56) ALDH1A1TDP1HTTPOLBMEN1
SCHEMBL8685487 0.79 PARP1 (0.56) ALDH1A1TDP1HTTPOLBMEN1
SCHEMBL8811879 0.79 PARP1 (0.43) ALDH1A1MAPTDBHSMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed