SCHEMBL6547083

SCHEMBL6547083

CCCCCOc1ccc(CCCCCCCCCCCCCCC(=O)Cc2ccc(-c3cccs3)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.49
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
PLA2G4B P0C869 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
S1PR5 Q9H228 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6547714 0.91 PLA2G4B (0.45) PLA2G4AS1PR4S1PR1S1PR3PLA2G4B
SCHEMBL6548899 0.87 SCN9A (0.48) ALDH1A1SMN1; SMN2MEN1LMNAMAPK1
SCHEMBL6548487 0.77 DPP4 (0.49) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL6547146 0.75 DPP4 (0.45) ALDH1A1SMN1; SMN2MEN1LMNAMAPK1
SCHEMBL7869779 0.75 NPC1 (0.53) PLA2G4APLA2G4BALDH1A1SMN1; SMN2MEN1
SCHEMBL7870492 0.74 NPC1 (0.52) PLA2G4APLA2G4BALDH1A1SMN1; SMN2MEN1
SCHEMBL1333578 0.73 LTA4H (0.56) ALDH1A1SMN1; SMN2MEN1LMNAMAPK1
SCHEMBL833843 0.73 LTA4H (0.56) ALDH1A1SMN1; SMN2MEN1LMNAMAPK1
SCHEMBL8571707 0.73 LTA4H (0.56) ALDH1A1SMN1; SMN2MEN1LMNAMAPK1
SCHEMBL1756468 0.73 LTA4H (0.56) ALDH1A1SMN1; SMN2MEN1LMNAMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204714-B1 BI-OR TERTHIENYL SUBSTITUTED PHOTOCHROMIC NAPHTHO 2,1-B]PYRAN COMPOUNDS ESSILOR INT (FR) 2004-01-28 EP disclosed
EP-1204714-A1 BI-OR TERTHIENYL SUBSTITUTED PHOTOCHROMIC NAPHTHO 2,1-B]PYRAN COMPOUNDS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-05-15 EP disclosed
WO-2001004233-A1 BI-OR TERTHIENYL SUBSTITUTED PHOTOCHROMIC NAPHTHO[2,1-B]PYRAN COMPOUNDS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-01-18 WO disclosed