SCHEMBL9836736

SCHEMBL9836736

O=C(O)C1CCc2sc(C(O)C3CCCCC3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PDK1 Q15118 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
DAO P14920 1/20 0.31
IDO1 P14902 2/20 0.30
TDO2 P48775 2/20 0.30

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
SCHEMBL9871950 0.86 NPC1 (0.42) TBXAS1NPC1RAB9AALDH1A1MAPT
SCHEMBL9836161 0.77 TBXAS1 (0.54) TBXAS1NPC1RAB9A
SCHEMBL9834753 0.69 TBXAS1 (0.45) TBXAS1HIF1ADHODH
SCHEMBL21597427 0.67 TBXAS1 (0.46) TBXAS1NPC1RAB9APDK1ALDH1A1
SCHEMBL8637911 0.64 AKR1C3 (0.46) TBXAS1PDK1
SCHEMBL10439397 0.60 MAPT (0.53) TBXAS1ALDH1A1HIF1AMAPT
SCHEMBL31221788 0.58 ACHE (0.38) NPC1RAB9AALDH1A1MAPTIDO1
SCHEMBL6427539 0.58 FAAH (0.53)
SCHEMBL367535 0.58 FAAH (0.53)
SCHEMBL5608206 0.58 FAAH (0.53)

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
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed