SCHEMBL6168470

SCHEMBL6168470

C#CC(O)(c1ccc(OC)cc1)c1ccc2c(c1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR183 P32249 1/20 0.41
GSK3B P49841 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR Q13258 1/20 0.37
PRKCI P41743 1/20 0.37
ERN1 O75460 1/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
RYR2 Q92736 1/20 0.35
CXCR3 P49682 1/20 0.35

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
SCHEMBL7818520 0.84 PRKCI (0.40) GSK3BNPC1RAB9APKMPRKCI
SCHEMBL7817042 0.82 ERN1 (0.39) MEN1KMT2AGSK3BNPC1RAB9A
SCHEMBL10106909 0.81 ALDH1A1 (0.45) MEN1KMT2ANPC1RAB9APKM
SCHEMBL8978552 0.78 TDP1 (0.41) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL25954061 0.78 ELANE (0.46) SMN1; SMN2MAPTALDH1A1LMNACA12
SCHEMBL164160 0.78 ELANE (0.46) SMN1; SMN2MAPTALDH1A1LMNACA12
SCHEMBL7807844 0.76 PRKCI (0.38) NPC1RAB9APKMPRKCIERN1
SCHEMBL6400299 0.76 CA12 (0.47) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL25954066 0.75 ELANE (0.40) KMT2ANPC1RAB9ATP53PKM
SCHEMBL3716710 0.74 GSK3B (0.48) MEN1KMT2AGPR183GSK3BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792468-B2 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG IND OHIO INC (US) 2005-05-04 EP disclosed
EP-0792468-B1 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG IND OHIO INC (US) 2002-04-03 EP disclosed
EP-0801750-B1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG IND OHIO INC (US) 2001-11-07 EP disclosed
EP-0801750-A4 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES INC (US) 1997-12-10 EP disclosed
EP-0801750-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1997-10-22 EP disclosed
US-5656206-A OPHTHALIMIC LENSES; RADIATION TRANSPARENT; PHOTOCHROMISM TRANSITIONS OPTICAL, INC. (US) 1997-08-12 US disclosed
US-5645767-A PLASTIC LENSES, WINDOWS, BATHOCHROMIC SHIFT FOR WAVELENGTHS IN VISIBLE SPECTRUM TRANSITIONS OPTICAL, INC. (US) 1997-07-08 US disclosed
US-5573712-A PHOTOCHROMIC ARTICLE COMPRISING ORGANIC HOST AND THE PHOTOCHROMIC NAPHTHOPYRAN TRANSITIONS OPTICAL, INC. (US) 1996-11-12 US disclosed
WO-1996014596-A1 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1996-05-17 WO disclosed
US-5514817-A PHOTOCHROMIC PPG INDUSTRIES, INC. (US) 1996-05-07 US disclosed
WO-1996004576-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1996-02-15 WO disclosed
US-5458814-A Ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO disclosed