SCHEMBL9735709

SCHEMBL9735709

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TRPA1 O75762 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
BACE1 P56817 1/20 0.36
CYP2D6 P10635 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
AKT1 P31749 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
PTGS2 P35354 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
SCHEMBL20982212 0.86 TRPA1 (0.41) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL18243233 0.85 ALDH1A1 (0.41) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL7514265 0.83 TRPA1 (0.42) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL18951094 0.83 CYP1A2 (0.37) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL9735383 0.83 CYP1A2 (0.43) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL18242755 0.82 ALDH1A1 (0.39) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL538823 0.81 NPC1 (0.41) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL31206567 0.81 NPC1 (0.41) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL96519 0.80 ALDH1A1 (0.38) CYP1A2CYP2A6ALDH1A1NPC1RAB9A
SCHEMBL8750462 0.80 ALDH1A1 (0.38) CYP1A2CYP2A6ALDH1A1NPC1RAB9A

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
CN-1018908-B COLOR-DEVELOPING SHEETS USING IN PRESSURE-SENSING CARBON PAPER MITSUI TOATSU CHEMICALS (JP) 1992-11-04 CN disclosed
EP-0233450-B1 LINEAR SALICYLIC ACID COPOLYMERS AND THEIR METAL SALTS, PRODUCTION PROCESS THEREOF, COLOR-DEVELOPING AGENTS COMPRISING METAL-RESINS OF THE COPOLYMERS, AND COLOR-DEVELOPING SHEETS EMPLOYING THE AGENTS MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed
CN-1007814-B Linear salicylic acid copolymer and method for producing metal salt thereof, and color-developing agent containing copolymer metal salt, and color-developing paper using the same MITSUI TOATSU CHEMICALS (JP) 1990-05-02 CN disclosed
CN-1040543-A Linear salicylic acid copolymer, process for producing metal salt thereof, color-developing agent containing copolymer metal salt, and color-developing paper using the same MITSUI TOATSU CHEMICALS (JP) 1990-03-21 CN disclosed
US-4783521-A Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-11-08 US disclosed
CN-87100709-A Linear salicylic acid copolymer and method for producing metal salt thereof, and color-developing agent containing copolymer metal salt, and color-developing paper using the same 1987-09-02 CN disclosed
EP-0233450-A2 Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers, and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-08-26 EP disclosed