SCHEMBL16130326

SCHEMBL16130326

COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)S/C2=N\C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 19/20 0.67
▸ S1PR1 P21453 18/20 0.67
▸ FAAH O00519 1/20 0.55

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
SCHEMBL16130329 0.91 S1PR3 (0.70) S1PR3S1PR1
SCHEMBL16130307 0.89 S1PR1 (0.65) S1PR3S1PR1
SCHEMBL12912674 0.88 S1PR3 (0.62) S1PR3S1PR1FAAH
SCHEMBL944429 0.88 S1PR3 (0.69) S1PR3S1PR1
SCHEMBL946399 0.84 S1PR3 (0.69) S1PR3S1PR1
SCHEMBL16130306 0.83 S1PR1 (0.65) S1PR3S1PR1
SCHEMBL16130279 0.83 S1PR3 (0.71) S1PR3S1PR1FAAH
SCHEMBL19096222 0.83 FAAH (0.67) S1PR3S1PR1FAAH
SCHEMBL16130238 0.83 S1PR3 (0.67) S1PR3S1PR1
SCHEMBL16130310 0.83 S1PR3 (0.69) S1PR3S1PR1

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
Send feedback