SCHEMBL21715809

SCHEMBL21715809

Nc1ccc(-c2ccc3cc(-c4ccc(N)cc4OC(F)(F)F)ccc3c2)c(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
GPR3 P46089 1/20 0.35
SCN9A Q15858 8/20 0.35
SCN5A Q14524 1/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL21715783 0.95 TRPA1 (0.42) TRPA1ALOX5APFEN1GLAPOLB
SCHEMBL2141965 0.88 GLA (0.42) TRPA1ALOX5APFEN1GLAPOLB
Hydrochloric Acid SCHEMBL28045031 0.86 GLA (0.41) TRPA1ALOX5APFEN1GLAPOLB
SCHEMBL31533686 0.85 PDE3B (0.43) TRPA1ALOX5APFEN1GLAPOLB
SCHEMBL714264 0.84 TSHR (0.48) ALOX5APFEN1GLAPOLBGAA
SCHEMBL23429868 0.83 ALOX5AP (0.43) TRPA1ALOX5APFEN1SCN9ASCN5A
SCHEMBL21715780 0.83 ALOX5AP (0.43) TRPA1ALOX5APFEN1SCN9ASCN5A
SCHEMBL5038281 0.81 NCOA1 (0.45) ALOX5APFEN1GLAPOLBGAA
SCHEMBL22607085 0.80 TSHR (0.45) TRPA1ALOX5APFEN1GLAPOLB
SCHEMBL31533741 0.77 GAA (0.42) ALOX5APFEN1GLAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163683-A1 POLYMERS FOR USE IN ELECTRONIC DEVICES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2021-06-03 US disclosed
WO-2020033471-A1 POLYMERS FOR USE IN ELECTRONIC DEVICES DUPONT ELECTRONICS, INC. (US) 2020-02-13 WO disclosed