SCHEMBL6901893

SCHEMBL6901893

CCc1ccc(O)c(Oc2cc(CC)ccc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.61
TAAR1 Q96RJ0 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
FOS P01100 1/20 0.47
TTR P02766 1/20 0.47
JUN P05412 1/20 0.47
NR3C1 P04150 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL5990920 0.88 TRPA1 (0.48) TRPA1TAAR1TSHRMAPK1POLB
SCHEMBL4525681 0.85 TTR (0.56) TRPA1TTRF2
SCHEMBL27741310 0.85 TAAR1 (0.67) TRPA1TAAR1TSHRMAPK1FOS
SCHEMBL109504 0.85 TAAR1 (0.67) TRPA1TAAR1TSHRMAPK1FOS
SCHEMBL29455076 0.85 TAAR1 (0.67) TRPA1TAAR1TSHRMAPK1FOS
Water SCHEMBL25194134 0.83 TAAR1 (0.65) TRPA1TAAR1TSHRMAPK1FOS
SCHEMBL10762625 0.83 TRPA1 (0.57) TRPA1TAAR1TSHRMAPK1POLB
Alcohol SCHEMBL29288211 0.82 TAAR1 (0.62) TRPA1TAAR1TSHRMAPK1FOS
SCHEMBL7785561 0.80 TRPA1 (0.53) TRPA1TAAR1TSHRMAPK1POLB
Formaldehyde SCHEMBL27628600 0.80 CYP3A4 (0.62) TRPA1TAAR1TSHRMAPK1FOS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953605-B1 Flow improved polycarbonate composition TEIJIN LTD (JP) 2004-09-15 EP disclosed
US-6103856-A LINEAR AROMATIC POLYCARBONATE WHICH HAS BEEN PREPARED BY REACTING AN AROMATIC DIHYDROXY COMPOUND WITH A CARBONATE PRECURSOR THROUGH SOLUTION OR MELT POLYCONDENSATION AND CYCLIC AROMATIC CARBONATE TEIJIN LIMITED (JP) 2000-08-15 US disclosed
EP-0953605-A2 Flow improved polycarbonate composition TEIJIN LIMITED (JP) 1999-11-03 EP disclosed