SCHEMBL7215950

SCHEMBL7215950

COC(C(=O)NC(C)(C#N)C(C)C)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ANO1 Q5XXA6 1/20 0.38
FFAR2 O15552 3/20 0.38
KEAP1 Q14145 2/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.36
NFE2L2 Q16236 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL7219260 0.84 ANO1 (0.42) ANO1FFAR2KEAP1CYP2C9HDAC4
SCHEMBL7214349 0.75 POLB (0.47) ALDH1A1L3MBTL1ANO1LMNA
SCHEMBL8650991 0.73 CTSL (0.36) ALDH1A1ANO1KEAP1LMNANFE2L2
SCHEMBL7220666 0.72 L3MBTL1 (0.57) ALDH1A1L3MBTL1ANO1KEAP1LMNA
SCHEMBL4620434 0.72 SMN1; SMN2 (0.57) ALDH1A1L3MBTL1NPSR1CYP2C9LMNA
SCHEMBL4620431 0.72 SMN1; SMN2 (0.57) ALDH1A1L3MBTL1NPSR1CYP2C9LMNA
SCHEMBL4620213 0.72 SMN1; SMN2 (0.57) ALDH1A1L3MBTL1NPSR1CYP2C9LMNA
SCHEMBL8400798 0.71 NPSR1 (0.43) ALDH1A1NPSR1LMNA
SCHEMBL8106282 0.70 CTSK (0.40) LMNA
SCHEMBL8842237 0.69 SMN1; SMN2 (0.48) ALDH1A1L3MBTL1NPSR1ANO1LMNA

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
US-6504046-B1 Cyclization of nitriles using acids, to form oxazolinone chemical intermediates such as 2-phenyl-4-isopropyl-4-methyl-1,3-oxazol-5-one, used as fungicides IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-07 US disclosed
EP-1092705-A1 PROCESS FOR THE PREPARATION OF AMIDES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-04-18 EP disclosed