SCHEMBL7220957

SCHEMBL7220957

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
CNR2 P34972 5/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.45
SHMT1 P34896 1/20 0.43
SHMT2 P34897 1/20 0.43
LMNA P02545 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CNR1 P21554 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.41
PPARA Q07869 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
SCHEMBL7214263 0.85 L3MBTL1 (0.54) L3MBTL1CNR2KMT2AALDH1A1MEN1
SCHEMBL7213629 0.85 L3MBTL1 (0.60) L3MBTL1CNR2KMT2AALDH1A1MEN1
SCHEMBL7220927 0.78 FFAR2 (0.40) KMT2AMEN1LMNA
SCHEMBL7220666 0.77 L3MBTL1 (0.57) L3MBTL1CNR2KMT2AALDH1A1MEN1
SCHEMBL8240475 0.76 L3MBTL1 (0.73) L3MBTL1CNR2KMT2AALDH1A1MEN1
SCHEMBL8233804 0.72 L3MBTL1 (0.67) L3MBTL1CNR2KMT2AALDH1A1MEN1
SCHEMBL14036719 0.72 L3MBTL1 (1.00) L3MBTL1CNR2KMT2AALDH1A1MEN1
SCHEMBL28195899 0.71 HPGD (0.56) L3MBTL1CNR2KMT2AALDH1A1MEN1
SCHEMBL3761816 0.70 KMT2A (0.59) L3MBTL1CNR2KMT2AALDH1A1MEN1
SCHEMBL16880546 0.70 KMT2A (0.59) L3MBTL1CNR2KMT2AALDH1A1MEN1

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