SCHEMBL30657017

SCHEMBL30657017

CC(C)c1cccc(C(C)C)c1Nc1ccccc1N(C=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SOAT2 O75908 1/20 0.38
SOAT1 P35610 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 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
SCHEMBL29274122 1.00 NR3C1 (0.39) NR3C1GAAALOX12NPSR1SOAT2
SCHEMBL29274141 0.85 LPAR1 (0.35) LMNAKMT2A
SCHEMBL5541543 0.82 MEN1 (0.40) GAAALOX12NPSR1LMNAKMT2A
SCHEMBL29274135 0.79 CRHR1 (0.48) NR3C1PGRNR3C2AR
SCHEMBL30657011 0.79 CRHR1 (0.48) NR3C1PGRNR3C2AR
SCHEMBL23106359 0.76 KDM1A (0.51) LMNAKMT2A
SCHEMBL6744857 0.71 LMNA (0.47) LMNAKMT2A
SCHEMBL31447156 0.71 LMNA (0.47) LMNAKMT2A
SCHEMBL23106338 0.70 LPAR1 (0.38) LMNAKMT2A
SCHEMBL23193049 0.70 KMT2A (0.34) GAAALOX12NPSR1SOAT2SOAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069747-A Method for synthesizing N-heterocyclic carbene complex by utilizing hydrolysate of imidazole salt 石河子大学 2023-11-17 CN claimed
CN-117069747-A Method for synthesizing N-heterocyclic carbene complex by utilizing hydrolysate of imidazole salt 石河子大学 2023-11-17 CN disclosed