SCHEMBL4187002

SCHEMBL4187002

CCCCCCCCCCOc1cc(Br)sc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.39
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
PTPN11 Q06124 3/20 0.38
S1PR3 Q99500 1/20 0.38
TLR8 Q9NR97 1/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHUK O15111 1/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL13876361 1.00 SMPD1 (0.39) SMPD1THRATHRBPTPN11S1PR3
SCHEMBL28022174 1.00 SMPD1 (0.39) SMPD1THRATHRBPTPN11S1PR3
SCHEMBL27946789 1.00 SMPD1 (0.39) SMPD1THRATHRBPTPN11S1PR3
SCHEMBL31464878 1.00 SMPD1 (0.39) SMPD1THRATHRBPTPN11S1PR3
SCHEMBL19861981 0.98 THRA (0.37) SMPD1THRATHRBPTPN11S1PR3
SCHEMBL2417770 0.86 SMPD1 (0.39) SMPD1THRATHRBPTPN11S1PR3
SCHEMBL14854547 0.85 RARB (0.38) MEN1LMNACYP3A4MAPTKMT2A
SCHEMBL14842725 0.85 RARB (0.35) THRATHRBTLR8MEN1LMNA
SCHEMBL28669141 0.79 SMPD1 (0.41) SMPD1THRATHRBPTPN11S1PR3
SCHEMBL28397542 0.79 SMPD1 (0.38) SMPD1THRATHRBPTPN11S1PR3

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 7 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-8530594-B2 Copolymers of alkoxythiophene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-10 US disclosed
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
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
WO-2007109545-A2 COPOLYMERS OF ALKOXYTHIOPHENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 WO disclosed