SCHEMBL20346167

SCHEMBL20346167

CCCCOc1ccc(-c2ccc(CCc3ccc(CC)cc3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ RARB P10826 1/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ MPL P40238 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLCO1B3 Q9NPD5 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL25693801 0.96 CNR2 (0.41) S1PR1CNR2SMN1; SMN2GLAS1PR3
SCHEMBL25693855 0.94 CNR2 (0.40) S1PR1CNR2SMN1; SMN2GLARARB
SCHEMBL20346165 0.93 S1PR1 (0.40) S1PR1CNR2SMN1; SMN2GLARARB
SCHEMBL15119768 0.92 CNR2 (0.40) S1PR1CNR2SMN1; SMN2GLARARB
SCHEMBL16803343 0.92 MPL (0.42) S1PR1CNR2SMN1; SMN2GLARARB
SCHEMBL20888419 0.90 FFAR4 (0.40) S1PR1CNR2SMN1; SMN2GLARARB
SCHEMBL16229874 0.90 RARB (0.46) S1PR1CNR2SMN1; SMN2RARBMEN1
SCHEMBL9563933 0.90 S1PR1 (0.42) S1PR1CNR2SMN1; SMN2GLARARB
SCHEMBL25693858 0.90 PTPN11 (0.41) S1PR1CNR2SMN1; SMN2RARBS1PR3
SCHEMBL25693856 0.90 S1PR1 (0.42) S1PR1CNR2SMN1; SMN2GLARARB

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-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 — — US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 — — US disclosed
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