SCHEMBL9315134

SCHEMBL9315134

CCOC(=O)C=Cc1cc(Cl)c(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP3A4 P08684 1/20 0.43
MAOB P27338 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FDPS P14324 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
LMNA P02545 1/20 0.39
CNKSR1 Q969H4 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL963055 0.77 CA12 (0.57) TTRDPP4CA12CA1CA2
SCHEMBL963057 0.77 CA12 (0.57) TTRDPP4CA12CA1CA2
SCHEMBL16808545 0.77 CA12 (0.50) TTRDPP4CA12CA1CA2
SCHEMBL29136995 0.77 CA12 (0.50) TTRDPP4CA12CA1CA2
SCHEMBL24737413 0.76 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL29136928 0.76 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL6965434 0.75 MAPT (0.44) TTRDPP4CA12CA1CA2
SCHEMBL6965431 0.75 MAPT (0.44) TTRDPP4CA12CA1CA2
SCHEMBL16808671 0.75 CA12 (0.48) TTRDPP4CA12CA1CA2
SCHEMBL16265450 0.73 MAPT (0.50) TTRDPP4CA12CA1CA2

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
US-5278166-A 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5214063-A 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1993-05-25 US disclosed
US-5162364-A Treatment of spastic and senescence disorders ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed