SCHEMBL8750430

SCHEMBL8750430

Cc1ccc(C)c(C(C)CCCOCCCC(C)c2cc(C)ccc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
TSHR P16473 4/20 0.35
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
LMNA P02545 3/20 0.32
CHRM1 P11229 2/20 0.32
ADRA1A P35348 2/20 0.32
HTR2B P41595 2/20 0.32
TRPA1 O75762 1/20 0.32
SLC6A2 P23975 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 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
SCHEMBL8985501 0.82 PDE5A (0.40) SRCALDH1A1KMT2APOLBLMNA
SCHEMBL8750449 0.74 ACHE (0.42) ALDH1A1KDM4EKMT2ATDP1MEN1
SCHEMBL27391010 0.74 TSHR (0.42) SRCTSHRALDH1A1KMT2APOLB
SCHEMBL14908003 0.72 CHRM1 (0.51) SRCALDH1A1KDM4EKMT2APOLB
SCHEMBL8766798 0.72 SRC (0.45) SRCALDH1A1KMT2APOLBLMNA
SCHEMBL20076724 0.71 POLB (0.37) SRCTSHRALDH1A1KMT2APOLB
SCHEMBL7813526 0.71 KMT2A (0.50) TSHRALDH1A1KDM4EKMT2APOLB
Hydrogen Peroxide SCHEMBL11334308 0.71 TSHR (0.44) SRCTSHRALDH1A1KMT2APOLB
SCHEMBL9221372 0.70 LMNA (0.35) ALDH1A1KDM4EKMT2APOLBLMNA
SCHEMBL8750512 0.69 ACHE (0.41) ALDH1A1KDM4EKMT2ATDP1MEN1

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