SCHEMBL8750462

SCHEMBL8750462

CCc1ccc(C(C)OC)c(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
AKT1 P31749 1/20 0.34
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
BACE1 P56817 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL8750519 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL8750382 0.81 TRPA1 (0.35) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL9735709 0.80 CYP1A2 (0.43) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL19114031 0.80 TRPA1 (0.38) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL14614576 0.80 PTGS1 (0.35) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL18243233 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL7514265 0.77 TRPA1 (0.42) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL18242755 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL538823 0.75 NPC1 (0.41) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL31206567 0.75 NPC1 (0.41) ALDH1A1SMN1; SMN2NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
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-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 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