SCHEMBL8750438

SCHEMBL8750438

CCCC(Cc1ccc(C)c(C)c1)OC(CCC)Cc1ccc(C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PSMB5 P28074 3/20 0.34
PSMB8 P28062 2/20 0.34
BDKRB2 P30411 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SKP2 Q13309 1/20 0.33
CTSK P43235 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CTSB P07858 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
SCHEMBL8750396 0.79 ESR1 (0.38) BDKRB2CTSKESR1ESR2PPARG
SCHEMBL8750431 0.77 TAS1R3 (0.40) TAS1R3TAS1R1BDKRB2CTSKL3MBTL1
Hydrazine SCHEMBL4606528 0.74 SKP2 (0.35) TAS1R3TAS1R1PSMB5PSMB8SIGMAR1
SCHEMBL23283609 0.74 BDKRB2 (0.40) TAS1R3TAS1R1PSMB5PSMB8BDKRB2
SCHEMBL8750563 0.73 CTSK (0.50) SIGMAR1CTSKCTSB
SCHEMBL2726278 0.72 CYP1A2 (0.45) SIGMAR1CTSK
SCHEMBL21402299 0.72 ALOX15 (0.62) LMNA
SCHEMBL676400 0.72 FOS (0.62) LMNAMAPT
SCHEMBL7562470 0.70 GABRA1 (0.50) PSMB5PSMB8LMNAMAPTRAB9A
SCHEMBL8750371 0.69 TAAR1 (0.38) CTSKMAPTESR1PPARGPPARA

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