SCHEMBL29016239

SCHEMBL29016239

CCC(C)[C@H]1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.53
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KDM1A O60341 2/20 0.44
HTR2B P41595 1/20 0.44
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL2456036 0.86 SMYD3 (0.44) SMYD3RAB9ASMN1; SMN2HPGDNPC1
SCHEMBL2976923 0.84 SMYD3 (0.66) SMYD3RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL3771488 0.77 RAB9A (0.68) SMYD3RAB9ASMN1; SMN2HPGDNPC1
SCHEMBL7233864 0.77 RAB9A (0.68) SMYD3RAB9ASMN1; SMN2HPGDNPC1
SCHEMBL29016234 0.77 SMYD3 (0.58) SMYD3RAB9ASMN1; SMN2HPGDNPC1
SCHEMBL22462380 0.77 GRM5 (0.40) RAB9ASMN1; SMN2HPGDNPC1
SCHEMBL22462374 0.76 SMYD3 (0.46) SMYD3RAB9ASMN1; SMN2HPGDNPC1
SCHEMBL3649905 0.76 SMYD3 (0.56) SMYD3RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL15942762 0.73 ALDH1A1 (0.55) SMYD3RAB9AHPGDNPC1L3MBTL1
SCHEMBL23951315 0.72 SMYD3 (0.85) SMYD3RAB9ASMN1; SMN2HPGDNPC1

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
CN-117756662-A Triamide compound and composition comprising same 美利肯公司 2024-03-26 CN disclosed
CN-115066462-B Triamide compound and composition comprising same 美利肯公司 2024-01-09 CN disclosed
CN-115066462-A Triamide compounds and compositions comprising the same 美利肯公司 2022-09-16 CN disclosed