SCHEMBL7214263

SCHEMBL7214263

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CNR2 P34972 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.41
NLRP3 Q96P20 1/20 0.41
HPGD P15428 2/20 0.41
OPRK1 P41145 1/20 0.39

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) L3MBTL1MAPTPOLBALDH1A1CNR2
SCHEMBL7220546 0.82 CYP3A4 (0.39) L3MBTL1MAPTALDH1A1CYP3A4CYP1A2
SCHEMBL7213629 0.80 L3MBTL1 (0.60) L3MBTL1MAPTPOLBALDH1A1CNR2
SCHEMBL622329 0.74 MAPT (0.61) L3MBTL1MAPTPOLBALDH1A1MEN1
SCHEMBL7213700 0.74 GAA (0.45) L3MBTL1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL7222866 0.74 CNR2 (0.49) L3MBTL1MAPTPOLBALDH1A1CNR2
SCHEMBL703931 0.73 MAPT (0.72) L3MBTL1MAPTPOLBALDH1A1KMT2A
SCHEMBL7220673 0.73 SMN1; SMN2 (0.46) L3MBTL1POLBALDH1A1CYP2C9MEN1
SCHEMBL7221377 0.73 CXCL8 (0.44) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8240475 0.72 L3MBTL1 (0.73) L3MBTL1MAPTPOLBALDH1A1CNR2

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