SCHEMBL968201

SCHEMBL968201

CC(C)(C)OC(=O)N1C(=O)CCC1(C(=O)O)C(=O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CRBN Q96SW2 2/20 0.37
STS P08842 1/20 0.36
KLK7 P49862 1/20 0.36
ACHE P22303 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
TACR1 P25103 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
DDB1 Q16531 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 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
SCHEMBL968202 0.80 STS (0.39) GPR119OPRD1OPRK1STSKLK7
SCHEMBL29202479 0.80 STS (0.39) GPR119OPRD1OPRK1STSKLK7
SCHEMBL6364575 0.76 GPR119 (0.39) GPR119OPRD1OPRK1CRBNSTS
SCHEMBL3733386 0.75 ALDH1A1 (0.42) GPR119OPRD1OPRK1TACR1
SCHEMBL311298 0.71 BUB1 (0.35) GPR119CRBNSMN1; SMN2DDB1
SCHEMBL631011 0.71 BUB1 (0.35) GPR119CRBNSMN1; SMN2DDB1
SCHEMBL1293778 0.71 BUB1 (0.35) GPR119CRBNSMN1; SMN2DDB1
SCHEMBL1914273 0.70 DDB1 (0.33) CRBNSMN1; SMN2DDB1
SCHEMBL483149 0.70 DDB1 (0.33) CRBNSMN1; SMN2DDB1
SCHEMBL20456344 0.69 CHRM2 (0.37) CRBNKDM4ETHRBSMN1; SMN2DDB1

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-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed