SCHEMBL8750409

SCHEMBL8750409

COCc1ccc(C(C)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ TACR1 P25103 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8750609 0.86 TSHR (0.56) IDO1ESR1PDCD1ESR2CD274
SCHEMBL23296723 0.82 IDO1 (0.39) IDO1TSHRCHRNB2CHRNA4ATM
SCHEMBL12204426 0.82 IDO1 (0.46) IDO1ESR1PDCD1ESR2CD274
SCHEMBL23127588 0.81 ESR1 (0.53) ESR1ESR2BCHETAAR1
SCHEMBL8750406 0.81 TSHR (0.45) IDO1ESR1PDCD1ESR2CD274
SCHEMBL764954 0.79 IDO1 (0.65) IDO1ESR1ESR2TYR
SCHEMBL794 0.78 — —
SCHEMBL8643448 0.78 ESR1 (0.55) ESR1PDCD1ESR2CD274TSHR
SCHEMBL444227 0.77 TP53 (0.56) ESR1PDCD1ESR2CD274TSHR
SCHEMBL8767137 0.77 CALM1 (0.55) ESR1PDCD1ESR2CD274TAAR1

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
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