SCHEMBL8750461

SCHEMBL8750461

CCc1cccc(COCc2cccc(CC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.46
IDO1 P14902 8/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
MGLL Q99685 1/20 0.41
SOD1 P00441 1/20 0.41
KDM1A O60341 1/20 0.40
AGXT P21549 4/20 0.39
BCL2 P10415 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL25624080 0.93 TSHR (0.48) TSHRTP53IDO1MGLLSOD1
SCHEMBL13274041 0.91 SOD1 (0.42) TSHRTP53IDO1CYP1A2CYP2A6
SCHEMBL166894 0.84 TP53 (0.61) TP53IDO1CYP1A2CYP2A6MGLL
SCHEMBL23267589 0.84 KDM4E (0.37) TSHRTP53IDO1CYP1A2CYP2A6
SCHEMBL12305 0.84 TP53 (0.44) TP53IDO1CYP1A2CYP2A6MGLL
SCHEMBL649159 0.83 TSHR (0.46) TSHRTP53IDO1AGXTSMN1; SMN2
SCHEMBL24606488 0.82 SLC5A2 (0.36) TSHRTP53IDO1CYP1A2CYP2A6
SCHEMBL14700071 0.82 IDO1 (0.64) IDO1AGXT
Benzene SCHEMBL9785236 0.82 TP53 (0.67) TP53IDO1CYP1A2CYP2A6MGLL
Ammonia Solution, Strong SCHEMBL28805948 0.82 TP53 (0.58) TP53IDO1CYP1A2CYP2A6MGLL

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