SCHEMBL20044992

SCHEMBL20044992

CCCCCCc1cc(C(F)(F)F)c2cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc5cc(CCCCCC)cc(C(F)(F)F)c5cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc2c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.32
S1PR1 P21453 3/20 0.32
S1PR5 Q9H228 2/20 0.32
PTGS2 P35354 2/20 0.31
KCNH2 Q12809 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
SCHEMBL20044975 0.85 TLR8 (0.33) S1PR4S1PR1S1PR5PTGS2
SCHEMBL20044974 0.79 S1PR1 (0.37) S1PR4S1PR1S1PR5PTGS2
SCHEMBL20044991 0.79 KCNH2 (0.32) KCNH2
SCHEMBL20044973 0.78 S1PR1 (0.32) S1PR1
SCHEMBL20044963 0.76 SIGMAR1 (0.37) S1PR4S1PR1S1PR5
SCHEMBL19462687 0.73 PTGS2 (0.40) S1PR4S1PR1S1PR5PTGS2
SCHEMBL1884100 0.73 S1PR4 (0.30) S1PR4S1PR1S1PR5
SCHEMBL20044964 0.71 S1PR1 (0.32) S1PR4S1PR1S1PR5
SCHEMBL21196883 0.69 PTGS2 (0.34) PTGS2
SCHEMBL10058019 0.67 TLR8 (0.35) KCNH2

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
US-20180102222-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-04-12 US disclosed
US-20180102222-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-04-12 US disclosed