SCHEMBL10696973

SCHEMBL10696973

CC(C)NC(=O)/C=C/c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.55
TAS1R1 Q7RTX1 7/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
RECQL P46063 2/20 0.50
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL9576410 1.00 TAS1R3 (0.55) TAS1R3TAS1R1SMN1; SMN2PTGS1PTGS2
SCHEMBL9576093 0.86 TAS1R3 (0.55) TAS1R3TAS1R1SMN1; SMN2PTGS1PTGS2
SCHEMBL10699339 0.86 TAS1R3 (0.55) TAS1R3TAS1R1SMN1; SMN2PTGS1PTGS2
SCHEMBL15121093 0.82 TAS1R3 (0.78) TAS1R3TAS1R1SMN1; SMN2PTGS1PTGS2
SCHEMBL10696967 0.81 MMP2 (0.53) TAS1R3TAS1R1PTGS2RECQLHDAC3
SCHEMBL10696978 0.81 MMP2 (0.53) TAS1R3TAS1R1PTGS2RECQLHDAC3
SCHEMBL21240913 0.80 F3 (0.62) SMN1; SMN2PTGS2RECQLHDAC3HDAC1
SCHEMBL4076403 0.79 THRB (0.64) SMN1; SMN2PTGS2HDAC3HDAC1HDAC2
SCHEMBL4076401 0.79 THRB (0.64) SMN1; SMN2PTGS2HDAC3HDAC1HDAC2
SCHEMBL9576451 0.78 TAS1R3 (0.56) TAS1R3TAS1R1SMN1; SMN2PTGS1PTGS2

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-0274546-A1 New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds AMERICAN CYANAMID COMPANY (US) 1988-07-20 EP disclosed