SCHEMBL8750475

SCHEMBL8750475

CCCC(OC(CCC)C(CC)c1ccccc1)C(CC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.44
LMNA P02545 3/20 0.41
AOC3 Q16853 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
OPRM1 P35372 2/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL8750487 0.83 ESR1 (0.39) LMNASLC6A2SLC6A3OPRM1ESR1
SCHEMBL9843786 0.79 HKDC1 (0.55) HKDC1LMNAAOC3TAAR1SLC6A2
SCHEMBL8750378 0.78 AOC3 (0.41) LMNAAOC3TAAR1SLC6A2SLC6A3
SCHEMBL8157573 0.77 AOC3 (0.48) HKDC1LMNAAOC3TAAR1SLC6A2
SCHEMBL4071581 0.76 HKDC1 (0.65) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL8750582 0.76
SCHEMBL5391517 0.74 HKDC1 (0.46) HKDC1LMNAAOC3TAAR1SLC6A2
SCHEMBL14930795 0.74 LMNA (0.52) HKDC1LMNAAOC3TAAR1SLC6A2
SCHEMBL9235198 0.74 HKDC1 (0.48) HKDC1LMNAAOC3TAAR1SLC6A2
SCHEMBL28233426 0.73 HKDC1 (0.49) HKDC1LMNAAOC3TAAR1SLC6A2

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