SCHEMBL11025802

SCHEMBL11025802

C(#Cc1c2ccccc2c(C#Cc2ccc(C3CCCCC3)cc2)c2ccccc12)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
DHODH Q02127 1/20 0.38
SLC18A3 Q16572 2/20 0.38
CYP11B2 P19099 1/20 0.36
LMNA P02545 2/20 0.35
FFAR1 O14842 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
PTAFR P25105 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RAB9A P51151 1/20 0.35
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HDAC1 Q13547 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
SCHEMBL10476961 0.85 APP (0.48) SLC18A3CYP11B2LMNAFFAR1MAPT
SCHEMBL3836703 0.80 APP (0.50) SLC18A3LMNAFFAR1MAPTRAB9A
SCHEMBL4453448 0.76 KMT2A (0.39) LMNAHTTGAAMAPTKCNH2
SCHEMBL19401239 0.76 PAX8 (0.48) SLC18A3CYP11B2FFAR1PTAFRGRM5
SCHEMBL3714277 0.75 APP (0.55) SLC18A3LMNAFFAR1MAPTRAB9A
SCHEMBL23918348 0.75 S1PR1 (0.48) CYP11B2LMNAFFAR1HTTKCNH2
SCHEMBL15014364 0.75 ESR2 (0.53) LMNAFFAR1HTTGAAMAPT
SCHEMBL18857278 0.72 APP (0.38) SLC18A3CYP11B2FFAR1GRM5
SCHEMBL10880262 0.72 CTSL (0.39) HRH3KDM4E
SCHEMBL6275125 0.72 HDAC8 (0.52) SLC18A3CYP11B2LMNAHTTGAA

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-0084599-B1 9,10-BIS -ALKYLPHENYLETHYNYL-ANTHRACENES AND CHEMILUMINESCENT COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1985-05-15 EP disclosed
US-4401585-A FLUORESER REACTING WITH PEROXIDE TO CHEMILUMINESCE AMERICAN CYANAMID COMPANY (US) 1983-08-30 US disclosed
EP-0084599-A1 9,10-Bis -alkylphenylethynyl-anthracenes and chemiluminescent compositions AMERICAN CYANAMID COMPANY (US) 1983-08-03 EP disclosed