SCHEMBL9833768

SCHEMBL9833768

CCCCc1ccccc1OCCC[C]=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
PPARD Q03181 1/20 0.45
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
PRKCD Q05655 1/20 0.43
PAK1 Q13153 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
THRA P10827 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
SCHEMBL3210770 0.89 PPARD (0.49) L3MBTL1MAPTNPSR1LTB4RLTB4R2
SCHEMBL9264758 0.86 MAPT (0.49) L3MBTL1MAPTNPSR1LTB4RLTB4R2
SCHEMBL919038 0.85 CYP1A2 (0.58) L3MBTL1MAPTNPSR1LTB4RLTB4R2
SCHEMBL910856 0.84 L3MBTL1 (0.49) L3MBTL1MAPTNPSR1LTB4RLTB4R2
SCHEMBL73826 0.83 CYP1A2 (0.52) L3MBTL1MAPTNPSR1LTB4RLTB4R2
SCHEMBL11341195 0.82 LTB4R (0.53) L3MBTL1MAPTNPSR1LTB4RLTB4R2
SCHEMBL16934158 0.82 LTB4R (0.53) L3MBTL1MAPTNPSR1LTB4RLTB4R2
SCHEMBL16933732 0.82 LTB4R (0.53) L3MBTL1MAPTNPSR1LTB4RLTB4R2
SCHEMBL96897 0.81 LIPG (0.43) CYP2C9THRATHRB
SCHEMBL8523169 0.80 LTB4R (0.55) L3MBTL1MAPTNPSR1LTB4RLTB4R2

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-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed