SCHEMBL8311543

SCHEMBL8311543

COc1ccc(C(O)(c2ccc(OC)c(OC)c2)C2CCN(CCCCl)CC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.46
CYP2J2 P51589 2/20 0.46
KCNH2 Q12809 3/20 0.46
ABCB1 P08183 2/20 0.45
HRH1 P35367 3/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
CACNA1F O60840 1/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8317345 0.94 KCNH2 (0.54) PAX8CYP2J2KCNH2ABCB1HRH1
SCHEMBL8316153 0.80 CYP2J2 (0.60) PAX8CYP2J2KCNH2HRH1MEN1
SCHEMBL8316065 0.80 PAX8 (0.52) PAX8CYP2J2KCNH2HRH1MEN1
SCHEMBL8315481 0.78 HRH1 (0.50) CYP2J2KCNH2ABCB1HRH1MEN1
SCHEMBL7439663 0.77 KCNH2 (0.51) CYP2J2KCNH2ABCB1HRH1MEN1
SCHEMBL16291199 0.77 KCNH2 (0.67) CYP2J2KCNH2ABCB1HRH1MEN1
SCHEMBL10461269 0.76 PAX8 (0.51) PAX8KCNH2HRH1CHRM2HTR1A
SCHEMBL10557081 0.76 PAX8 (0.60) PAX8CYP2J2KCNH2HRH1MEN1
SCHEMBL10461770 0.76 ABCB11 (0.53) PAX8CYP2J2KCNH2HRH1MEN1
SCHEMBL8316749 0.75 HRH1 (0.63) CYP2J2KCNH2ABCB1HRH1MEN1

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
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed