SCHEMBL6168565

SCHEMBL6168565

COc1ccc(C(O)C#Cc2ccc3c(c2)CCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.50
FFAR1 O14842 1/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 2/20 0.40
ERN1 O75460 1/20 0.40
MEN1 O00255 1/20 0.40
GPR183 P32249 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PTGDR Q13258 1/20 0.38
PFKFB3 Q16875 1/20 0.37

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
SCHEMBL5194250 0.78 CA12 (0.46) ACACB
SCHEMBL9942722 0.77 APP (0.53) ACACBFFAR1
SCHEMBL9035254 0.77 ACACB (0.41) ACACBFFAR1GSK3BERN1HDAC3
SCHEMBL12851488 0.73 HDAC3 (0.45) ACACBFFAR1GSK3BKMT2AMEN1
SCHEMBL3716710 0.73 GSK3B (0.48) GSK3BKMT2AERN1MEN1GPR183
SCHEMBL29845506 0.73 GSK3B (0.48) GSK3BKMT2AERN1MEN1GPR183
SCHEMBL7807845 0.72 ACACB (0.43) ACACBFFAR1ERN1HDAC3HDAC4
Hydrochloric Acid SCHEMBL4525296 0.72 HDAC3 (0.44) ACACBFFAR1GSK3BKMT2AMEN1
SCHEMBL3924311 0.71 APP (0.46) ACACBFFAR1KMT2AMEN1
SCHEMBL163754 0.71 MAPT (0.49) KMT2AMEN1

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 6 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-0792468-A4 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES INC (US) 1999-03-03 EP disclosed
EP-0792468-A1 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1997-09-03 EP disclosed
US-5645767-A PLASTIC LENSES, WINDOWS, BATHOCHROMIC SHIFT FOR WAVELENGTHS IN VISIBLE SPECTRUM TRANSITIONS OPTICAL, INC. (US) 1997-07-08 US disclosed
WO-1996014596-A1 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1996-05-17 WO disclosed