SCHEMBL9521646

SCHEMBL9521646

C#CCCCOc1ccc(-c2noc(C)n2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.50

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
SCHEMBL9521623 0.80 NPC1 (0.44)
SCHEMBL9522122 0.78 AOC3 (0.50) S1PR1
SCHEMBL9523548 0.77 S1PR1 (0.45) S1PR1
SCHEMBL9201638 0.74 NR1I2 (0.46) S1PR1
SCHEMBL13139484 0.73 S1PR1 (0.60) S1PR1
SCHEMBL12267064 0.73 S1PR1 (0.66) S1PR1
SCHEMBL9521176 0.72 L3MBTL1 (0.39)
SCHEMBL9523262 0.72 MAPT (0.35) S1PR1
SCHEMBL19430732 0.72 SPHK2 (0.56) S1PR1
SCHEMBL8137702 0.72 NR1I2 (0.68) S1PR1

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-0523803-A1 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1993-01-20 EP disclosed
US-5175177-A 1,2,4-OXADIAZOLYL-PHENOXYALKYLISOXAZOLES AND THEIR USE AS ANTIVIRAL AGENTS STERLING DRUG INC. (US) 1992-12-29 US disclosed