SCHEMBL9073262

SCHEMBL9073262

CCc1ccc(COCc2ccc(CC)c(C)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 2/20 0.37
TSHR P16473 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KCNH2 Q12809 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SKP2 Q13309 1/20 0.32
CYP3A4 P08684 1/20 0.32
BACE1 P56817 1/20 0.32
AXL P30530 1/20 0.31

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
SCHEMBL8750514 0.86 LMNA (0.39) RXRARXRBRXRGNOS3NOS1
SCHEMBL8750417 0.83 DHFR (0.41) TSHRKCNH2ALDH1A1LMNAMAPT
SCHEMBL4279450 0.82 TRPA1 (0.44) NOS3NOS1NOS2ESR1ESR2
SCHEMBL7060861 0.78 TSHR (0.40) TSHRKCNH2ESR1ESR2ALDH1A1
SCHEMBL10858395 0.77 RXRA (0.36) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL9073249 0.77 NOS3 (0.35) TSHRNOS3NOS1NOS2ESR1
SCHEMBL18656545 0.77 CSNK2A1 (0.46) NOS3NOS1NOS2SKP2BACE1
SCHEMBL19993109 0.77 NOS3 (0.35) NOS3NOS1NOS2ESR1ESR2
SCHEMBL8750442 0.77 EGFR (0.41) NOS3NOS1NOS2ESR1ESR2
SCHEMBL15760681 0.76 SLC5A2 (0.36) BACE1AXLMERTK

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 6 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
CN-1016432-B Salicylic acid copolymer and method for preparing metal salt thereof MITSUI TOATSU CHEMICAIS INC (JP) 1992-04-29 CN 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
CN-1051368-A Salicylic acid copolymers and its metal-salt and preparation method thereof contain the developer of this metal salts of copolymers and the colour developing paper of this developer of employing MITSUI TOATSU CHEMICALS (JP) 1991-05-15 CN disclosed
CN-87107802-A Salicylic acid copolymer and metal salt thereof, process for producing the same, color-developing agent containing the copolymer metal salt, and color-developing paper using the color-developing agent 1988-08-10 CN 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