SCHEMBL9614047

SCHEMBL9614047

CCc1cc(CC)c(NC(=O)C(Cl)COC)c(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN5A Q14524 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL9761567 0.84 NLRP3 (0.44) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL28531053 0.70 MEN1 (0.41) LMNAALDH1A1HPGDMAPTGAA
SCHEMBL6901572 0.70 TDP1 (0.44) ALDH1A1KMT2AMEN1SCN5ACACNA1C
SCHEMBL12284735 0.69 GAA (0.50) LMNAALDH1A1HPGDMAPTGAA
SCHEMBL9845475 0.68 ALDH1A1 (0.41) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL30012866 0.67 ALDH1A1 (0.43) LMNAALDH1A1MAPTGAAKMT2A
SCHEMBL9614032 0.66 ANPEP (0.47) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL6544554 0.66 ANPEP (0.47) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL8462752 0.65 NLRP3 (0.39) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL5087609 0.65 NR1I2 (0.43) LMNAALDH1A1MAPTKMT2AMEN1

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
US-5155272-A Process for the production of haloacylamides MONSANTO COMPANY (US) 1992-10-13 US disclosed