SCHEMBL7213629

SCHEMBL7213629

CC(=O)C(C)(NC(=O)Cc1ccc(Cl)cc1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
CNR2 P34972 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.45
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
HPGD P15428 1/20 0.44
GRM7 Q14831 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SHMT1 P34896 1/20 0.43
SHMT2 P34897 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7220957 0.85 L3MBTL1 (0.56) L3MBTL1CNR2MEN1KMT2AALDH1A1
SCHEMBL7214263 0.80 L3MBTL1 (0.54) L3MBTL1CNR2MEN1KMT2AALDH1A1
SCHEMBL8240475 0.79 L3MBTL1 (0.73) L3MBTL1CNR2MEN1KMT2AALDH1A1
SCHEMBL7220666 0.77 L3MBTL1 (0.57) L3MBTL1CNR2MEN1KMT2AALDH1A1
SCHEMBL5964186 0.76 L3MBTL1 (0.68) L3MBTL1CNR2MEN1KMT2AALDH1A1
SCHEMBL7213632 0.75 L3MBTL1 (0.62) L3MBTL1CNR2MEN1KMT2AALDH1A1
SCHEMBL8233804 0.75 L3MBTL1 (0.67) L3MBTL1CNR2MEN1KMT2AALDH1A1
SCHEMBL14036719 0.75 L3MBTL1 (1.00) L3MBTL1CNR2MEN1KMT2AALDH1A1
SCHEMBL7220058 0.75 FFAR2 (0.44)
SCHEMBL28195899 0.75 HPGD (0.56) L3MBTL1CNR2MEN1KMT2AALDH1A1

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