SCHEMBL9320946

SCHEMBL9320946

CCOC(=O)C(c1cccc(Cl)c1)N(C)C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AOC3 Q16853 1/20 0.37
TRPM8 Q7Z2W7 4/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALOX5 P09917 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
SCHEMBL9318635 0.88 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPC1NPSR1
SCHEMBL9318624 0.88 MMP8 (0.42) ALDH1A1NPC1MEN1LMNAKMT2A
SCHEMBL9321131 0.86 CA12 (0.40) SMN1; SMN2
SCHEMBL9321113 0.84 SMN1; SMN2 (0.38) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9319338 0.82 CCR5 (0.45) ALDH1A1GAAMAPTMEN1LMNA
SCHEMBL9319108 0.81 OPRD1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL9318746 0.81 CASP1 (0.43) GAAMAPTAOC3MEN1KMT2A
SCHEMBL9319910 0.81 GRM5 (0.42) GRM5ALDH1A1MAPTMEN1LMNA
SCHEMBL9319066 0.80 L3MBTL1 (0.41) ALDH1A1MAPTNPSR1MEN1LMNA
SCHEMBL9319501 0.78 AKR1B1 (0.44) ALDH1A1GAANPC1NPSR1MEN1

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-5350861-A Insecticides, acaricides, fungicides, antimycotic agents BAYER AKTIENGESELLSCHAFT (DE) 1994-09-27 US disclosed