SCHEMBL6548487

SCHEMBL6548487

O=C(CCCCCCCCCCCCCCc1cccs1)Cc1ccc(-c2cccs2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC1 Q13547 2/20 0.43
CASP7 P55210 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6547146 0.85 DPP4 (0.45) DPP4LTA4HALDH1A1L3MBTL1LMNA
SCHEMBL6548899 0.81 SCN9A (0.48) DPP4ALDH1A1L3MBTL1LMNANPC1
SCHEMBL6547083 0.77 PLA2G4A (0.49) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL13467158 0.76 DPP4 (0.55) DPP4LTA4HALDH1A1L3MBTL1LMNA
SCHEMBL799787 0.76 LTA4H (0.56) DPP4LTA4HALDH1A1L3MBTL1LMNA
SCHEMBL13088311 0.75 DPP4 (0.62) DPP4LTA4HALDH1A1L3MBTL1LMNA
SCHEMBL4382398 0.75 POLB (0.52) ALDH1A1L3MBTL1LMNAKDM4EMAPT
SCHEMBL27987587 0.75 TAAR1 (0.55) ALDH1A1L3MBTL1LMNAMAPTNPC1
SCHEMBL7479624 0.75 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1NPC1POLBSMN1; SMN2
SCHEMBL5336150 0.75 DPP4 (0.57) DPP4LTA4HALDH1A1L3MBTL1LMNA

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