SCHEMBL8750406

SCHEMBL8750406

CCOCc1ccc(C(C)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ TACR1 P25103 8/20 0.42
▸ IDO1 P14902 2/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 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 0.90 TSHR (0.56) TSHRTACR1IDO1ESR1PDCD1
SCHEMBL8750409 0.81 IDO1 (0.42) TSHRTACR1IDO1ESR1PDCD1
SCHEMBL8750539 0.80 IDO1 (0.61) IDO1ESR1ESR2ALOX5L3MBTL1
SCHEMBL16478 0.80 TSHR (0.70) TSHRTACR1IDO1L3MBTL1SMN1; SMN2
SCHEMBL444227 0.78 TP53 (0.56) TSHRESR1PDCD1ESR2CD274
SCHEMBL25430960 0.78 TSHR (0.67) TSHRTACR1IDO1L3MBTL1SMN1; SMN2
Water SCHEMBL27795742 0.78 TSHR (0.67) TSHRTACR1IDO1L3MBTL1SMN1; SMN2
Bromide SCHEMBL20577438 0.78 TSHR (0.67) TSHRTACR1IDO1L3MBTL1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2308512 0.78 TSHR (0.67) TSHRTACR1IDO1L3MBTL1SMN1; SMN2
SCHEMBL27536462 0.78 TSHR (0.67) TSHRTACR1IDO1L3MBTL1SMN1; SMN2

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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