SCHEMBL8750609

SCHEMBL8750609

CC(c1ccccc1)c1ccc(COCc2ccc(C(C)c3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ TACR1 P25103 6/20 0.46
▸ IDO1 P14902 2/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ PDCD1 Q15116 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ BCHE P06276 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LYPLA1 O75608 1/20 0.39
▸ LYPLA2 O95372 1/20 0.39
▸ TYR P14679 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
SCHEMBL8750406 0.90 TSHR (0.45) TSHRTACR1IDO1ESR1PDCD1
SCHEMBL8750409 0.86 IDO1 (0.42) TSHRTACR1IDO1ESR1PDCD1
SCHEMBL9842310 0.83 TSHR (0.62) TSHRTACR1IDO1
SCHEMBL13756779 0.83 TSHR (0.62) TSHRTACR1IDO1
SCHEMBL29041352 0.81 TSHR (0.65) TSHRTACR1IDO1
SCHEMBL13425055 0.81 LMNA (0.43) —
SCHEMBL8643448 0.79 ESR1 (0.55) TSHRESR1PDCD1ESR2CD274
SCHEMBL10178438 0.79 TSHR (0.56) TSHRTACR1IDO1ESR1ESR2
SCHEMBL444227 0.78 TP53 (0.56) TSHRESR1PDCD1ESR2CD274
SCHEMBL8767137 0.78 CALM1 (0.55) ESR1PDCD1ESR2CD274

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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