SCHEMBL4586050

SCHEMBL4586050

CCCCc1cc(-c2cc(CCCC)c(Br)s2)sc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.37
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
SKP2 Q13309 1/20 0.32
TLR8 Q9NR97 1/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL1419425 0.92 ALOX5 (0.41) TYRHTTMEN1TP53CYP3A4
SCHEMBL1419440 0.92 ALOX5 (0.41) TYRHTTMEN1TP53CYP3A4
SCHEMBL329156 0.92 ALOX5 (0.41) TYRHTTMEN1TP53CYP3A4
SCHEMBL1419676 0.92 ALOX5 (0.41) TYRHTTMEN1TP53CYP3A4
SCHEMBL2491229 0.92 ALOX5 (0.41) TYRHTTMEN1TP53CYP3A4
SCHEMBL14122091 0.92 ALOX5 (0.41) TYRHTTMEN1TP53CYP3A4
SCHEMBL1419514 0.92 ALOX5 (0.41) TYRHTTMEN1TP53CYP3A4
SCHEMBL1492474 0.86 ALOX5 (0.40) TYRHTTMEN1TP53CYP3A4
SCHEMBL14881177 0.86 ALOX5 (0.40) TYRHTTMEN1TP53CYP3A4
SCHEMBL14015490 0.86 ALOX5 (0.40) TYRHTTMEN1TP53CYP3A4

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-20080262183-A1 Dithienopyrrole-containing copolymers HONEYWELL INTERNATIONAL INC 2008-10-23 US disclosed
US-20080262183-A1 Dithienopyrrole-containing copolymers HONEYWELL INTERNATIONAL INC 2008-10-23 US disclosed
US-20080262183-A1 Dithienopyrrole-containing copolymers HONEYWELL INTERNATIONAL INC 2008-10-23 US disclosed