SCHEMBL4023097

SCHEMBL4023097

CC(C)(C)[S+]([O-])NC(CC(=O)O)c1ccc(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
CTSA P10619 9/20 0.32
NR1I2 O75469 1/20 0.32
EEF2K O00418 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KMO O15229 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP26A1 O43174 1/20 0.31

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
SCHEMBL4030776 0.88 APLNR (0.34) APLNRNR1I2CNR1CNR2
SCHEMBL4196483 0.85 CXCR1 (0.35) APLNRNR1I2
SCHEMBL3946528 0.82 APLNR (0.34) APLNRCNR1CNR2
SCHEMBL4184543 0.81 APLNR (0.38) APLNRALDH1A1
SCHEMBL18640955 0.80 CYP1A2 (0.40) CTSAALDH1A1
SCHEMBL4021434 0.79 HDAC6 (0.32) APLNR
SCHEMBL16680694 0.77 APLNR (0.43) APLNRCTSANR1I2EEF2KKMO
SCHEMBL16680695 0.77 APLNR (0.43) APLNRCTSANR1I2EEF2KKMO
SCHEMBL12494482 0.77 EEF2K (0.41) CTSAEEF2KCYP26A1
SCHEMBL12494479 0.77 EEF2K (0.41) CTSAEEF2KCYP26A1

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
WO-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed