SCHEMBL6547572

SCHEMBL6547572

C#CC(O)(c1cccs1)c1ccc(-c2cccs2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
DPP4 P27487 4/20 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
SCHEMBL6873939 0.85 CHRM3 (0.37) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL6546679 0.83 DPP4 (0.40) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL3158068 0.78 MAPT (0.40) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL3172538 0.78 ICMT (0.40) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL4798652 0.73 RGS12 (0.39) ALDH1A1GAALMNAMEN1POLB
SCHEMBL6547870 0.73 ALDH1A1 (0.38) ALDH1A1GAANPC1RAB9ALMNA
SCHEMBL13452265 0.71 ESR1 (0.36) ALDH1A1GAAL3MBTL1LMNAMEN1
SCHEMBL13191583 0.69 DPP4 (0.45) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL23611278 0.69 DPP4 (0.65) ALDH1A1GAAL3MBTL1NPC1RAB9A
Alpha-Terthienyl SCHEMBL147274 0.69 DPP4 (0.65) ALDH1A1GAAL3MBTL1NPC1RAB9A

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 4 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
US-6312811-B1 Photochromic naphtho [2,1-b]pyran compounds containing bithienyl or terthienyl substituents, process for their manufacture, and photochromic materials and articles obtained ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-11-06 US 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