SCHEMBL8314159

SCHEMBL8314159

CC(C)=C(C(=O)O)c1ccccc1COc1ncccc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
SGMS2 Q8NHU3 1/20 0.40
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPK8 P45983 1/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8546624 0.89 TDP1 (0.41) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL5688378 0.89 TDP1 (0.41) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL6415153 0.82 L3MBTL1 (0.41) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL8338962 0.82 L3MBTL1 (0.41) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL8338953 0.80 TDP1 (0.39) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL6415145 0.80 TDP1 (0.39) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL6415157 0.80 TDP1 (0.39) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL29355966 0.80 TDP1 (0.39) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL29709962 0.74 SGMS2 (0.40) L3MBTL1SGMS2HTTNPSR1KMT2A
SCHEMBL5688372 0.74 SGMS2 (0.40) L3MBTL1SGMS2HTTNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915885-A1 PYRAZINE DERIVATIVES AND THEIR USE FOR MATERIAL AND PLANT PROTECTION BAYER AG (DE) 1999-05-19 EP disclosed
WO-1998004562-A1 PYRAZINE DERIVATIVES AND THEIR USE FOR MATERIAL AND PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1998-02-05 WO disclosed
US-5622546-A Mould-resistant emulsion paints BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
WO-1997001547-A1 BENZAZOLE DERIVATIVES WITH MICROBIOCIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0750542-A1 COMBINATIONS OF ACTIVE INSECTICIDE SUBSTANCES BAYER AG (DE) 1997-01-02 EP disclosed
EP-0730517-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AG (DE) 1996-09-11 EP disclosed
EP-0714420-A1 MOULD-RESISTANT EMULSION PAINTS BAYER AG (DE) 1996-06-05 EP disclosed
EP-0705160-A1 FUNGICIDAL ACTIVE-SUBSTANCE COMBINATION BAYER AG (DE) 1996-04-10 EP disclosed
WO-1995034204-A1 BACTERICIDE THIADIAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1995-12-21 WO disclosed
WO-1995024997-A1 COMBINATIONS OF ACTIVE INSECTICIDE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 1995-09-21 WO disclosed
WO-1995014558-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1995-06-01 WO disclosed
WO-1995011786-A1 TIMBER PROTECTING MEDIUM CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1995-05-04 WO disclosed
WO-1995006091-A1 MOULD-RESISTANT EMULSION PAINTS BAYER AKTIENGESELLSCHAFT (DE) 1995-03-02 WO disclosed
WO-1995000303-A1 FUNGICIDAL ACTIVE-SUBSTANCE COMBINATION BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed