SCHEMBL6547714

SCHEMBL6547714

CCCCCOc1ccc(CC(=O)CCCCCCCCCCCCCCc2ccc(-c3ccc(-c4cccs4)s3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.45
PLA2G4A P47712 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
DPP4 P27487 3/20 0.41
S1PR5 Q9H228 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PDE4A P27815 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL6547083 0.91 PLA2G4A (0.49) PLA2G4BPLA2G4ANPC1RAB9AS1PR4
SCHEMBL14284941 0.78 DPP4 (0.57) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL2028518 0.78 DPP4 (0.57) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL2769963 0.78 DPP4 (0.57) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL6548899 0.78 SCN9A (0.48) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL1333578 0.77 LTA4H (0.56) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL833843 0.77 LTA4H (0.56) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL1756468 0.77 LTA4H (0.56) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL8571707 0.77 LTA4H (0.56) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL4280934 0.76 LTA4H (0.54) NPC1RAB9ASMN1; SMN2POLBALDH1A1

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