SCHEMBL9069753

SCHEMBL9069753

COC(C)c1ccc(C(C)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
PDCD1 Q15116 1/20 0.41
ESR2 Q92731 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
THRB P10828 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KMT2A Q03164 2/20 0.38
TYR P14679 1/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA2B P18089 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACP3 P15309 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL12280720 0.91 THRB (0.45) THRBHCAR2KMT2AADRA2AADRA2C
SCHEMBL57510 0.91 THRB (0.45) THRBHCAR2KMT2AADRA2AADRA2C
SCHEMBL2737141 0.91 THRB (0.45) THRBHCAR2KMT2AADRA2AADRA2C
SCHEMBL23296776 0.84 IDO1 (0.39) THRBHCAR2AKR1C2AKR1C1KMT2A
SCHEMBL8750413 0.84 ESR1 (0.42) ESR1PDCD1ESR2CD274HCAR2
SCHEMBL1338710 0.83 AKR1C2 (0.42) ESR1PDCD1ESR2CD274THRB
SCHEMBL8643448 0.83 ESR1 (0.55) ESR1PDCD1ESR2CD274KMT2A
SCHEMBL8750554 0.82 PTGS2 (0.50) PDCD1CD274AKR1C2AKR1C1EPHX1
SCHEMBL169730 0.80 TAAR1 (0.50) ESR1PDCD1ESR2CD274KMT2A
SCHEMBL7499823 0.80 TAAR1 (0.50) ESR1PDCD1ESR2CD274KMT2A

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 5 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
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
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