SCHEMBL9734713

SCHEMBL9734713

CCc1c(C)cccc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
GABRB2 P47870 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HTR2B P41595 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 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
SCHEMBL9621062 0.87 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL18469082 0.86 GABRA1 (0.62) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL16957862 0.83 GABRA1 (0.36) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL18629974 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL19682807 0.83 P2RX7 (0.37) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL3970108 0.83 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL3865790 0.81 GABRA1 (0.52) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL6213612 0.81 GABRA1 (0.76) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL6215211 0.81 GABRA1 (0.52) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL10283560 0.81 ESR1 (0.34) GABRA1GABRG2GABRB3TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
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