SCHEMBL8917201

SCHEMBL8917201

O=S(=O)(Nn1ncc2ccc3cc(CO)ccc3c21)c1cccc(C(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
OPRD1 P41143 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.31
F2 P00734 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
S1PR1 P21453 2/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL8921166 0.86 CA2 (0.33) ELANEOPRD1CCR1
SCHEMBL8917793 0.85 CA1 (0.43)
SCHEMBL8919219 0.71 CA1 (0.45)
SCHEMBL8919620 0.70 MAPT (0.34)
SCHEMBL8916271 0.70 CA1 (0.43)
SCHEMBL8916660 0.69 SGK1 (0.33)
SCHEMBL8917277 0.69 TRPV4 (0.34)
SCHEMBL8917772 0.69 CA1 (0.43)
SCHEMBL8918908 0.68 CA1 (0.41)
SCHEMBL8918757 0.67 ALDH1A1 (0.41)

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed