SCHEMBL8690508

SCHEMBL8690508

CC(C)=CCCn1ccc2c(C=O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 4/20 0.39
IMPDH2 P12268 1/20 0.39
POLB P06746 2/20 0.37
APP P05067 1/20 0.37
CYP24A1 Q07973 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8686722 0.87 ICMT (0.42) ALDH1A1IMPDH2POLBAPPTDP1
SCHEMBL8685437 0.82 POLB (0.55) ALDH1A1IMPDH2POLBTDP1L3MBTL1
SCHEMBL15519691 0.81 HTR2C (0.41) HTR2CALDH1A1IMPDH2POLBAPP
SCHEMBL29935620 0.81 ALDH1A1 (0.43) HTR2CALDH1A1IMPDH2POLBAPP
SCHEMBL29955958 0.77 ALDH1A1 (0.43) ALDH1A1IMPDH2POLBAPPTDP1
SCHEMBL1253456 0.77 ALDH1A1 (0.43) ALDH1A1IMPDH2POLBAPPTDP1
SCHEMBL2034817 0.77 POLB (0.49) ALDH1A1IMPDH2POLBCYP24A1TDP1
SCHEMBL8811841 0.77 PARP1 (0.49) ALDH1A1TDP1MAPTHTT
SCHEMBL8811840 0.77 PARP1 (0.49) ALDH1A1TDP1MAPTHTT
SCHEMBL8811843 0.77 PARP1 (0.37) HTR2CALDH1A1POLBCYP24A1TDP1

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