SCHEMBL4193906

SCHEMBL4193906

CCCCCCCCc1c(Br)csc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.50
ALDH1A1 P00352 2/20 0.35
ACHE P22303 2/20 0.35
BACE1 P56817 1/20 0.35
PTGS2 P35354 3/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 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
SCHEMBL3296389 1.00 GPR35 (0.50) GPR35ALDH1A1ACHEBACE1PTGS2
SCHEMBL27659633 0.85 GPR35 (0.44) GPR35ACHEBACE1PTGS2TP53
SCHEMBL13429481 0.85 GPR35 (0.44) GPR35ACHEBACE1PTGS2TP53
SCHEMBL27825706 0.85 GPR35 (0.44) GPR35ACHEBACE1PTGS2TP53
SCHEMBL27841909 0.82 GPR35 (0.49) GPR35ALDH1A1ACHEPTGS2ESR1
SCHEMBL27843104 0.82 GPR35 (0.49) GPR35ALDH1A1ACHEPTGS2ESR1
SCHEMBL28321573 0.78 GPR35 (0.49) GPR35HIF1A
SCHEMBL3447197 0.78 GPR35 (0.46) GPR35ALDH1A1ACHEPTGS2ESR1
SCHEMBL29062045 0.74 GPR35 (0.41) GPR35ALDH1A1ACHEBACE1PTGS2
SCHEMBL3559696 0.74 GPR35 (0.44) GPR35ALDH1A1ACHEPTGS2ESR1

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
US-8530594-B2 Copolymers of alkoxythiophene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-10 US disclosed
US-20090095343-A1 COPOLYMERS OF ALKOXYTHIOPHENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-16 US disclosed
WO-2007109545-A2 COPOLYMERS OF ALKOXYTHIOPHENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 WO disclosed