SCHEMBL3673992

SCHEMBL3673992

COC(=O)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2n1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
CXCR2 P25025 2/20 0.38
PTGS2 P35354 2/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G10 O15496 4/20 0.36
PLA2G2A P14555 4/20 0.36
PLA2G5 P39877 3/20 0.36
CCR9 P51686 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CXCR1 P25024 1/20 0.34

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
SCHEMBL2811565 0.88 NR1H2 (0.43) HSD11B1L3MBTL1MTNR1AMTNR1BCCR9
SCHEMBL3675346 0.80 NOD2 (0.43) HSD11B1L3MBTL1PTGS2KDM4EALDH1A1
SCHEMBL3316267 0.78 STS (0.49) HSD11B1L3MBTL1CXCR2KDM4EALDH1A1
SCHEMBL3637923 0.77 CA12 (0.44) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL2113911 0.76 STS (0.47) HSD11B1L3MBTL1CXCR2KDM4EALDH1A1
SCHEMBL1960026 0.75 LCK (0.47) HSD11B1L3MBTL1CXCR2KDM4EALDH1A1
SCHEMBL29977263 0.74 L3MBTL1 (0.45) HSD11B1L3MBTL1CXCR2DRD2DRD3
SCHEMBL18763951 0.73 HSD11B1 (0.50) HSD11B1CXCR2PTGS2SMN1; SMN2CA1
SCHEMBL16513114 0.73 HSD11B1 (0.50) HSD11B1L3MBTL1CXCR2PTGS2DRD2
SCHEMBL15912453 0.73 PLAU (0.52) HSD11B1CA1CA2

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
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed