SCHEMBL5686557

SCHEMBL5686557

CC=CCC[C@H]1CCc2c(ccc3c2CC[C@H](c2ccc(Cl)c(F)c2)C3)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.37
SGPL1 O95470 6/20 0.37
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL5686545 1.00 S1PR1 (0.37) S1PR1SGPL1SLC6A2SLC6A4SLC6A3
SCHEMBL5686553 1.00 S1PR1 (0.37) S1PR1SGPL1SLC6A2SLC6A4SLC6A3
SCHEMBL5686541 1.00 S1PR1 (0.37) S1PR1SGPL1SLC6A2SLC6A4SLC6A3
SCHEMBL5684040 0.90 S1PR1 (0.38) S1PR1SGPL1
SCHEMBL5684036 0.90 S1PR1 (0.38) S1PR1SGPL1
SCHEMBL5684046 0.90 S1PR1 (0.38) S1PR1SGPL1
SCHEMBL5684050 0.90 S1PR1 (0.38) S1PR1SGPL1
SCHEMBL5686853 0.89 S1PR1 (0.34) S1PR1SGPL1
SCHEMBL5686846 0.89 S1PR1 (0.34) S1PR1SGPL1
SCHEMBL5686850 0.89 S1PR1 (0.34) S1PR1SGPL1

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-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed