SCHEMBL7220927

SCHEMBL7220927

CC(C(=O)NC(C)(C(=O)CC(=O)O)C(C)C)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.40
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
ACKR3 P25106 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CYP26A1 O43174 1/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
GABBR2 O75899 3/20 0.36
GABBR1 Q9UBS5 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NFKB1 P19838 1/20 0.36
DRD3 P35462 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
SCHEMBL7215585 0.87 FFAR2 (0.39) FFAR2ACKR3TRPV1LMNACYP2C9
SCHEMBL7638474 0.86 FFAR2 (0.44) FFAR2S1PR2S1PR4S1PR3ACKR3
SCHEMBL7216269 0.85 MEN1 (0.38) FFAR2ACKR3TRPV1LMNACYP2C9
SCHEMBL7220546 0.84 CYP3A4 (0.39) FFAR2LMNACYP2C9CYP3A4NFKB1
SCHEMBL7220058 0.83 FFAR2 (0.44) FFAR2ACKR3TRPV1GRNSORT1
SCHEMBL7638122 0.81 FFAR2 (0.42) FFAR2ACKR3CYP26A1HDAC4HDAC7
SCHEMBL7220957 0.78 L3MBTL1 (0.56) LMNAMEN1KMT2A
SCHEMBL7219260 0.75 ANO1 (0.42) FFAR2ACKR3HDAC4HDAC7HDAC5
SCHEMBL8104975 0.74 FFAR2 (0.44) FFAR2ACKR3TRPV1HDAC4HDAC7
SCHEMBL8100402 0.70 FFAR2 (0.43) FFAR2TRPV1HDAC4HDAC7HDAC5

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 3 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
CN-1304399-A Process for preparation of amides IHARA CHEMICAL IND CO (JP) 2001-07-18 CN disclosed
EP-1092705-A1 PROCESS FOR THE PREPARATION OF AMIDES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-04-18 EP disclosed