SCHEMBL8750601

SCHEMBL8750601

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PYCR1 P32322 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
TNF P01375 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL16672904 0.77 PYCR1 (0.42) KDM4EALDH1A1PYCR1SMN1; SMN2NR3C1
SCHEMBL3023150 0.73 PYCR1 (0.40) KDM4EALDH1A1PYCR1SMN1; SMN2NR3C1
SCHEMBL25990635 0.73 PYCR1 (0.40) KDM4EALDH1A1PYCR1SMN1; SMN2NR3C1
SCHEMBL8750418 0.73 HPGD (0.41) ALDH1A1NR3C1TDP1SLC6A2SLC6A4
SCHEMBL3023153 0.73 TP53 (0.41) KDM4EALDH1A1PYCR1SMN1; SMN2TP53
SCHEMBL12828159 0.71 PYCR1 (0.41) KDM4EALDH1A1PYCR1SMN1; SMN2NR3C1
SCHEMBL168406 0.69 PYCR1 (0.46) KDM4EALDH1A1PYCR1SMN1; SMN2NR3C1
SCHEMBL1721087 0.68 ALDH1A1 (0.46) KDM4EALDH1A1PYCR1SMN1; SMN2NR3C1
SCHEMBL29783360 0.68 ALDH1A1 (0.46) KDM4EALDH1A1PYCR1SMN1; SMN2NR3C1
SCHEMBL13253409 0.67 CCR2 (0.33) PYCR1NR3C1PGRNR3C2RAB9A

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