SCHEMBL8750453

SCHEMBL8750453

CCC(Cc1ccc(C)cc1C)OC(CC)Cc1ccc(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.47
NR3C2 P08235 3/20 0.47
PGR P06401 2/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PYCR1 P32322 1/20 0.37
PSMB5 P28074 4/20 0.36
PSMB8 P28062 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL25916270 0.77 NR3C1 (0.49) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL8750459 0.77 ESR1 (0.42) NR3C1NR3C2PGRKDM4E
SCHEMBL23239987 0.76 NR3C1 (0.48) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL3031236 0.74 KDM4E (0.47) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL9070286 0.73 KDM4E (0.44) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL15187811 0.73 PSMB5 (0.39) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL11437831 0.72 NR3C1 (0.44) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL8750366 0.72 AGXT (0.40) NR3C1NR3C2PGRALDH1A1TDP1
SCHEMBL9729611 0.72 KDM4E (0.50) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL3634469 0.71 KDM4E (0.45) NR3C1NR3C2PGRKDM4EALDH1A1

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