SCHEMBL1710757

SCHEMBL1710757

NCCC(O)(I)c1cccc([S+]([O-])CC2(O)CCCC2)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 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
SCHEMBL1710521 0.99 SLC6A4 (0.33) SLC6A4
SCHEMBL3839037 0.77 TAAR1 (0.38) SLC6A4
SCHEMBL3836548 0.76 TAAR1 (0.38) SLC6A4
SCHEMBL3836993 0.76 TAAR1 (0.38) SLC6A4
SCHEMBL3836805 0.76 TAAR1 (0.38) SLC6A4
SCHEMBL3843230 0.75 TAAR1 (0.38)
SCHEMBL1725244 0.74 KDM4E (0.35) SLC6A4
SCHEMBL1710534 0.73 KDM4E (0.34) SLC6A4
SCHEMBL3385285 0.71 SLC6A2 (0.31) SLC6A4
SCHEMBL1710672 0.71 RORC (0.35) SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed