SCHEMBL8750422

SCHEMBL8750422

Cc1ccc(CCCC(C)OC(C)CCCc2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
FDFT1 P37268 1/20 0.42
HRH1 P35367 1/20 0.40
KCNH2 Q12809 4/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GAA P10253 1/20 0.38
AGXT P21549 2/20 0.38
IDO1 P14902 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 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
SCHEMBL9233304 0.82 SIGMAR1 (0.46) IDO1
SCHEMBL14676054 0.81 CYP1A2 (0.48) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL1827950 0.78 IGF1R (0.48) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL28350462 0.76 CYP1A2 (0.43) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL6546878 0.75 CYP1A2 (0.62) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL6546754 0.75 IGF1R (0.64) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL8750603 0.74 KDM4E (0.43) TAAR1
SCHEMBL10639385 0.73 IGF1R (0.48) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL9694171 0.73 IGF1R (0.48) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL2458605 0.73 IGF1R (0.48) CYP1A2CYP2A6TAAR1IGF1RALOX15

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