SCHEMBL9737175

SCHEMBL9737175

CC(C)C(C)c1ccccc1C(C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL20146402 0.83 GABRA1 (0.37) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL18568074 0.83 ESR1 (0.52) GABRA1GABRB2TSHRCYP3A4CA1
SCHEMBL3417544 0.83 GABRA1 (0.37) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL1554056 0.81 CYP3A4 (0.43) GABRA1GABRB2TSHRCYP1A2CYP3A4
SCHEMBL20809865 0.81 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE
SCHEMBL24265123 0.81 GABRA1 (0.36) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL21670120 0.81 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE
SCHEMBL20809861 0.81 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE
SCHEMBL9908235 0.81 ADRB2 (0.46) TSHRCYP1A2CYP3A4LMNAHPGD
SCHEMBL3415686 0.81 GABRA1 (0.65) GABRA1GABRB2TSHRGABRG2GABRB3

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-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
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
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