SCHEMBL868614

SCHEMBL868614

BrCCCCc1ccsc1Br

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.34
LTB4R Q15722 4/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL12917335 0.82 SLC6A4 (0.43) SLC6A4SLC6A3FFAR4
SCHEMBL2795698 0.82 LIPG (0.39) SLC6A4SLC6A3
SCHEMBL198675 0.80 LIPG (0.42) SLC6A4SLC6A3
SCHEMBL329220 0.80 LIPG (0.42) SLC6A4SLC6A3
SCHEMBL5147986 0.80 LIPG (0.42) SLC6A4SLC6A3
SCHEMBL19304410 0.80 LIPG (0.42) SLC6A4SLC6A3
SCHEMBL1225175 0.80 LIPG (0.42) SLC6A4SLC6A3
SCHEMBL20338197 0.80 LIPG (0.42) SLC6A4SLC6A3
SCHEMBL5170070 0.80 LIPG (0.42) SLC6A4SLC6A3
SCHEMBL2145395 0.80 LIPG (0.42) SLC6A4SLC6A3

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-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
WO-2012044778-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-05 WO disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed