SCHEMBL8750424

SCHEMBL8750424

CCC(OC(CC)C(C)c1cc(C)ccc1C)C(C)c1cc(C)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
NR3C1 P04150 2/20 0.33
NR3C2 P08235 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP2C9 P11712 1/20 0.31
PGR P06401 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL27391010 0.75 TSHR (0.42) POLBTDP1KMT2ALMNANR3C1
SCHEMBL23049815 0.74 ALDH1A1 (0.41) POLBTDP1KMT2AKDM4ELMNA
SCHEMBL8750447 0.73 CHRNA7 (0.40) POLBTDP1KMT2AKDM4ELMNA
SCHEMBL8750521 0.72 ALDH1A1 (0.39) POLBTDP1KMT2ALMNAALDH1A1
Hydrogen Peroxide SCHEMBL11334308 0.72 TSHR (0.44) POLBTDP1KMT2ALMNAALDH1A1
SCHEMBL9094407 0.69 HTT (0.40) POLBTDP1KMT2ALMNAALDH1A1
SCHEMBL8133440 0.69 HTT (0.40) POLBTDP1KMT2ALMNAALDH1A1
SCHEMBL1005595 0.69 TDP1 (0.37) POLBTDP1KMT2ALMNANR3C1
SCHEMBL19231144 0.69 ALDH1A1 (0.41) POLBTDP1KMT2AKDM4ELMNA
SCHEMBL8284306 0.69 ALDH1A1 (0.41) POLBTDP1KMT2AKDM4ELMNA

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