SCHEMBL16130279

SCHEMBL16130279

Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)S/C2=N\C(C)C)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 19/20 0.71
▸ S1PR1 P21453 18/20 0.71
▸ FAAH O00519 1/20 0.54

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
SCHEMBL16130281 0.94 S1PR3 (0.71) S1PR3S1PR1FAAH
SCHEMBL12912705 0.90 S1PR3 (0.68) S1PR3S1PR1FAAH
SCHEMBL12912707 0.89 S1PR3 (0.66) S1PR3S1PR1FAAH
SCHEMBL16130307 0.88 S1PR1 (0.65) S1PR3S1PR1
SCHEMBL16130310 0.87 S1PR3 (0.69) S1PR3S1PR1
SCHEMBL16130238 0.85 S1PR3 (0.67) S1PR3S1PR1
SCHEMBL944429 0.85 S1PR3 (0.69) S1PR3S1PR1
SCHEMBL16130332 0.84 S1PR3 (0.71) S1PR3S1PR1
SCHEMBL16130283 0.84 S1PR3 (0.73) S1PR3S1PR1
SCHEMBL16130326 0.83 S1PR3 (0.67) S1PR3S1PR1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 — — US disclosed
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