SCHEMBL7563682

SCHEMBL7563682

CCCCCCCCc1ccc2c(c1)c(F)cc1cc(OCC(F)CCCCCC)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.38
S1PR4 O95977 3/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR2 O95136 2/20 0.38
S1PR3 Q99500 2/20 0.38
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PLA2G4A P47712 4/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7563692 1.00 S1PR1 (0.38) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL7563687 1.00 S1PR1 (0.38) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL7558492 0.85 MAPK1 (0.43) PPARGPPARAHTR1AHTR1DHTR1B
SCHEMBL7519021 0.81 S1PR1 (0.37) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL7519026 0.81 S1PR1 (0.37) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL7519018 0.81 S1PR1 (0.37) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL7560255 0.80 HTR2A (0.46) HTR1AHTR1DHTR1BALDH1A1LMNA
SCHEMBL7928544 0.77 RARB (0.42) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL7557453 0.77 RARB (0.46) HTR1AHTR1DHTR1BMEN1USP2
SCHEMBL13310859 0.75 S1PR1 (0.52) S1PR1S1PR4S1PR5S1PR2S1PR3

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
EP-0946473-B1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECHNOLOGY GMBH (DE) 2002-07-31 EP disclosed
US-6168838-B1 FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICE AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-01-02 US disclosed