SCHEMBL9306201

SCHEMBL9306201

C[CH]c1ccc(C(=O)OC)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 2/20 0.49
HTT P42858 5/20 0.48
LMNA P02545 5/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 4/20 0.48
GAA P10253 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TNF P01375 2/20 0.48
MCL1 Q07820 2/20 0.48
NOD1 Q9Y239 2/20 0.48
NR2F2 P24468 1/20 0.48

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
SCHEMBL1765681 0.86 ERN1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL30437722 0.86 ERN1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL4129101 0.85 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9389741 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL27359244 0.82 ERN1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2824325 0.81 MIF (0.58) CA12CA1CA2CA7CA9
SCHEMBL2824327 0.81 MIF (0.58) CA12CA1CA2CA7CA9
SCHEMBL25333226 0.80 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL29664708 0.80 CES2 (0.59) CA12CA1CA2CA7CA9
SCHEMBL14012582 0.80 CES2 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354729-A Controlling weeds at low dosage; nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-10-11 US disclosed
EP-0579469-A2 N-acyldihydroquinoline derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-01-19 EP disclosed