SCHEMBL8622284

SCHEMBL8622284

CC=CCc1ccc(C#CC(C)(C)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.41
GAA P10253 3/20 0.38
ASIC3 Q9UHC3 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HAO1 Q9UJM8 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL25727921 0.79 LOXL2 (0.45) PTGES2GAAASIC3MAPTL3MBTL1
SCHEMBL12391039 0.78 ASIC3 (0.50) PTGES2GAAASIC3MAPTL3MBTL1
SCHEMBL13849645 0.77 CYP2A6 (0.47) PTGES2GAAASIC3MAPTL3MBTL1
SCHEMBL8978722 0.74 PTGES2 (0.47) PTGES2GAAASIC3MAPTL3MBTL1
SCHEMBL8616508 0.74 LOXL2 (0.48) L3MBTL1ALDH1A1HTTTSHR
SCHEMBL25727924 0.72 LOXL2 (0.53) PTGES2GAAASIC3MAPTL3MBTL1
SCHEMBL3448180 0.72 APP (0.54) PTGES2ASIC3MAPTL3MBTL1HTT
SCHEMBL8978928 0.71 PTGES2 (0.45) PTGES2MAPTALDH1A1LMNATSHR
SCHEMBL7873499 0.71 MAPT (0.44) PTGES2GAAASIC3MAPTL3MBTL1
SCHEMBL8623109 0.71 CA12 (0.36)

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-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed