SCHEMBL6169861

SCHEMBL6169861

COC(=O)c1c2c(c3ccccc3c1OC)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EGFR P00533 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
EIF4A1 P60842 1/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL10106951 0.96 ATM (0.39) ATML3MBTL1EGFRTDP1CA1
SCHEMBL7001887 0.92 EGFR (0.41) ATML3MBTL1EGFRALDH1A1HIF1A
SCHEMBL15254539 0.92 KDM4E (0.39) ATML3MBTL1EGFRTDP1CA1
SCHEMBL9280386 0.91 ATM (0.38) ATML3MBTL1EGFRTDP1CA1
SCHEMBL1408896 0.89 ATM (0.41) ATML3MBTL1TDP1CA1CA2
SCHEMBL29565080 0.89 ATM (0.41) ATML3MBTL1TDP1CA1CA2
SCHEMBL8978512 0.89 ATM (0.41) ATML3MBTL1TDP1CA1CA2
SCHEMBL1333703 0.89 ATM (0.39) ATML3MBTL1EGFRTDP1HTT
SCHEMBL9912574 0.89 L3MBTL1 (0.37) ATML3MBTL1TDP1CA1CA2
SCHEMBL13988301 0.89 L3MBTL1 (0.37) ATML3MBTL1EGFRTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5458814-A Ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US claimed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO claimed
US-7465415-B2 Photochromic materials derived from ring-opening monomers and photochromic initiators PPG INDUSTRIES OHIO, INC. (US) 2008-12-16 US disclosed
EP-1112263-B1 POLYMERIZABLE POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-06-08 EP disclosed
EP-1112264-B1 POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2002-11-27 EP disclosed
EP-1037885-B1 NOVEL WATER SOLUBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2002-03-27 EP disclosed
US-6113814-A PHOTOCHROMIC; END-CAPPED WITH A POLYMERIZABLE GROUP. TRANSITIONS OPTICAL, INC. (US) 2000-09-05 US disclosed
US-5961892-A PHOTOCHROMIC PPG INDUSTRIES OHIO, INC. (US) 1999-10-05 US disclosed
US-5879592-A Water soluble photochromic compounds, compositions and optical elements comprising the compounds PPG INDUSTRIES, INC. (US) 1999-03-09 US disclosed
US-5650098-A PHOTOCHROMIC LENSES TRANSITIONS OPTICAL, INC. (US) 1997-07-22 US disclosed
US-5573712-A PHOTOCHROMIC ARTICLE COMPRISING ORGANIC HOST AND THE PHOTOCHROMIC NAPHTHOPYRAN TRANSITIONS OPTICAL, INC. (US) 1996-11-12 US disclosed
US-5458814-A Ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed