SCHEMBL14735756

SCHEMBL14735756

C/C=C/[CH]c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
TRPA1 O75762 1/20 0.41
LMNA P02545 2/20 0.40
CYP2A6 P11509 1/20 0.40
AHR P35869 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.37
PTGS2 P35354 2/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
FBP1 P09467 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL11516994 0.79 HSD17B10 (0.48) HSD17B10TRPA1LMNACYP2A6AHR
SCHEMBL3668723 0.77 AHR (0.52) HSD17B10LMNACYP2A6AHRMAOB
SCHEMBL3851036 0.77 AHR (0.52) HSD17B10LMNACYP2A6AHRMAOB
SCHEMBL11438751 0.74 AHR (0.54) HSD17B10LMNACYP2A6AHRMAOB
SCHEMBL7519973 0.74 MAOB (0.46) TRPA1LMNACYP2A6MAOBALOX5
SCHEMBL3654206 0.74 MAOB (0.46) TRPA1LMNACYP2A6MAOBALOX5
SCHEMBL432740 0.74 AHR (0.54) HSD17B10LMNACYP2A6AHRMAOB
SCHEMBL1425165 0.74 AHR (0.54) HSD17B10LMNACYP2A6AHRMAOB
SCHEMBL2657529 0.74 MAOB (0.46) TRPA1LMNACYP2A6MAOBALOX5
SCHEMBL6158447 0.73 CHRM5 (0.50) MAOBCYP1A2ALOX5FBP1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763302-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-06 EP disclosed