SCHEMBL9070331

SCHEMBL9070331

CCCCOC(CC)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
FFAR1 O14842 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9070290 0.83 LTA4H (0.44) SMN1; SMN2DRD3L3MBTL1
SCHEMBL9070610 0.81 CNR1 (0.35)
SCHEMBL9053497 0.81 MAPT (0.39) MAPTRECQLHRH3MAPK1SMN1; SMN2
SCHEMBL8750482 0.80 FFAR1 (0.48) FFAR1SMN1; SMN2
SCHEMBL10841266 0.80 FAAH (0.31) MAPK1SMN1; SMN2SLC2A1
SCHEMBL9069754 0.79 MAPT (0.39) MAPTRECQLHRH3MAPK1SMN1; SMN2
SCHEMBL27697359 0.78 MAPT (0.40) MAPTRECQLHRH3MAPK1SMN1; SMN2
Bicarbonate SCHEMBL28202882 0.77 TSHR (0.45) MAPK1SMN1; SMN2L3MBTL1
SCHEMBL27396397 0.76 NPC1 (0.44) SMN1; SMN2
SCHEMBL8750631 0.76 CHRNA7 (0.44) MAPTFFAR1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed