SCHEMBL8750603

SCHEMBL8750603

Cc1ccc(CCCC(C)OC(C)CCCc2ccc(C)cc2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PYCR1 P32322 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
TRAP1 Q12931 1/20 0.33
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14676492 0.84 KDM4E (0.42) KDM4EALDH1A1PYCR1TAAR1SLC6A2
SCHEMBL10969479 0.75 CYP19A1 (0.47) ALDH1A1TRAP1TDP1LMNAHTT
SCHEMBL6547406 0.74 TAAR1 (0.48) KDM4EALDH1A1PYCR1TAAR1KMT2A
SCHEMBL8750422 0.74 CYP1A2 (0.43) TAAR1
SCHEMBL5838107 0.74 TYR (0.47) KDM4EALDH1A1PYCR1TAAR1KMT2A
SCHEMBL113499 0.73 TYR (0.53) KDM4EALDH1A1PYCR1TAAR1SLC6A2
SCHEMBL8750457 0.73 KDM4E (0.42) KDM4EALDH1A1PYCR1TAAR1TP53
SCHEMBL31498230 0.73 TYR (0.53) KDM4EALDH1A1PYCR1TAAR1SLC6A2
SCHEMBL683440 0.72 ALDH1A1 (0.47) KDM4EALDH1A1PYCR1TAAR1SLC6A2
SCHEMBL10039342 0.72 PYCR1 (0.40) KDM4EALDH1A1PYCR1TAAR1NR3C1

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