SCHEMBL8750459

SCHEMBL8750459

CCC(Cc1ccccc1C)OC(CC)Cc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
EPHX2 P34913 1/20 0.36
CHRM2 P08172 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 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
SCHEMBL8750371 0.85 TAAR1 (0.38) ESR1NR3C1PGRNR3C2TAAR1
SCHEMBL23347535 0.80 NR3C1 (0.40) NR3C1PGRNR3C2TAAR1PPARG
SCHEMBL15319642 0.79 PPARG (0.37) NR3C1PGRNR3C2TAAR1PPARG
SCHEMBL8750453 0.77 NR3C1 (0.47) NR3C1PGRNR3C2KDM4E
SCHEMBL20694193 0.77 TAAR1 (0.45) NR3C1PGRNR3C2TAAR1PPARG
SCHEMBL7739069 0.75 TAAR1 (0.43) NR3C1PGRNR3C2TAAR1PPARG
SCHEMBL6424581 0.73 TAAR1 (0.42) NR3C1PGRNR3C2TAAR1PPARG
SCHEMBL24347071 0.73 TAAR1 (0.42) NR3C1PGRNR3C2TAAR1PPARG
SCHEMBL8349103 0.73 TAAR1 (0.42) NR3C1PGRNR3C2TAAR1PPARG
SCHEMBL23420598 0.73 HTR2A (0.50) NR3C1PGRNR3C2TAAR1KMT2A

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 4 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
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