SCHEMBL8995979

SCHEMBL8995979

Cc1ccc(C(=O)C(O)C[N+](C)(C)C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NFE2L2 Q16236 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 1/20 0.36

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
Iodide SCHEMBL8995949 0.98 HSD11B1 (0.41) HSD11B1SMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL8995970 0.82 HTT (0.50) SMN1; SMN2HTTKDM4EKMT2ANPC1
Iodide SCHEMBL8995956 0.81 HTT (0.49) HTTKDM4EKMT2ANPC1RAB9A
SCHEMBL4624134 0.80 SLC6A2 (0.42) SMN1; SMN2HTTKMT2ANPC1RAB9A
SCHEMBL10845894 0.77 NFE2L2 (0.45) HSD11B1SMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL3645967 0.75 NFE2L2 (0.44) HSD11B1SMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL5716706 0.73 TAS1R3 (0.46) HSD11B1SMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL3365928 0.72 NFE2L2 (0.44) HSD11B1SMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL11792870 0.71 SMN1; SMN2 (0.44) HSD11B1SMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL10339057 0.71 HPGD (0.44) SMN1; SMN2KDM4ELMNAKMT2ANPC1

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
EP-0572986-B1 Assay for serum cholinesterase JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-28 EP claimed
EP-0572986-B1 Assay for serum cholinesterase JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-28 EP disclosed
EP-0572986-A1 Assay for serum cholinesterase Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-12-08 EP disclosed