SCHEMBL8750490

SCHEMBL8750490

CCC(CCCCOCCCCC(CC)c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRB2 P07550 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CHRNA7 P36544 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
SCHEMBL8750471 0.84 SIGMAR1 (0.41) NR1I2ALDH1A1LMNASMN1; SMN2
SCHEMBL8750586 0.84 ALDH1A1 (0.37) NR1I2ADRB2ALDH1A1SMN1; SMN2
SCHEMBL18660101 0.83 NR1I2 (0.58) NR1I2ESR1ESR2ADRA2AADRA2B
SCHEMBL8750512 0.78 ACHE (0.41) MEN1KMT2AKCNH2ADRB2ALDH1A1
SCHEMBL19937367 0.77 ALDH1A1 (0.39) NR1I2MEN1KMT2AESR1ESR2
SCHEMBL12725230 0.77 NR1I2 (0.36) NR1I2ALDH1A1LMNASMN1; SMN2
SCHEMBL18714383 0.77 ESR1 (0.46) NR1I2ESR1ESR2ADRA2AADRA2B
SCHEMBL19853174 0.76 ESR1 (0.55) NR1I2MEN1KMT2AESR1ESR2
SCHEMBL3989199 0.76 ADRA2A (0.48) NR1I2MEN1KMT2AESR1ESR2
SCHEMBL7125594 0.74 ADRB2 (0.36) MEN1KMT2APLA2G2CADRB2ALDH1A1

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