SCHEMBL8552335

SCHEMBL8552335

CCC(C)OCCOc1ccnc(-n2c(SC)nc3cc(C(F)(F)F)ccc32)c1C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CACNA1D Q01668 1/20 0.33
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL8550780 0.88 RXRA (0.37) CACNA1DPTGDR2
SCHEMBL8553294 0.87 S1PR4 (0.33) —
SCHEMBL8552692 0.86 TDP1 (0.36) —
SCHEMBL8667811 0.86 CACNA1D (0.36) CACNA1DPTGDR2
SCHEMBL8550147 0.86 — —
SCHEMBL8551249 0.85 CACNA1D (0.32) CACNA1D
SCHEMBL8552372 0.85 PTGS2 (0.36) —
SCHEMBL8552344 0.80 S1PR1 (0.30) —
SCHEMBL8551255 0.76 S1PR1 (0.30) —
SCHEMBL8550136 0.75 S1PR1 (0.31) —

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-5708013-A BENZIMIDAZOLESULFOXIDE DERIVATIVES EISAI CO., LTD. (JP) 1998-01-13 — — US disclosed
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