SCHEMBL8302274

SCHEMBL8302274

COc1csc(C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 5/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ECE1 P42892 2/20 0.39
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5154472 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9373188 0.80 MAPT (0.35) CA12CA1CA2CA7CA9
SCHEMBL28213914 0.80 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL19900492 0.79 MAPT (0.42) MAPTL3MBTL1POLBALDH1A1KDM4E
SCHEMBL27523747 0.78 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL10716973 0.78 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL28214504 0.76 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9373181 0.76 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4236884 0.74 POLB (0.44) MAPTL3MBTL1POLBAPEX1RECQL
SCHEMBL23413553 0.73 MEN1 (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed
US-4666502-A Herbicidal N-thienyl-chloroacetamides SANDOZ LTD. (CH) 1987-05-19 US disclosed