SCHEMBL9327592

SCHEMBL9327592

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(NC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)/C(=N\OC)c6csc(N)n6)[C@H]5SC4)C3)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.59
MAPT P10636 3/20 0.59
PPARG P37231 2/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
SLC22A8 Q8TCC7 2/20 0.59
SLC22A11 Q9NSA0 2/20 0.59
ALB P02768 1/20 0.59
HTR2C P28335 1/20 0.57
TDP1 Q9NUW8 4/20 0.52
APEX1 P27695 2/20 0.52
ABCC4 O15439 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL9022062 0.94 NR1I2 (0.51) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9021180 0.90 NR1I2 (0.62) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9551564 0.89 NR1I2 (0.62) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9551553 0.88 NR1I2 (0.62) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9022572 0.86 NR1I2 (0.59) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9020985 0.86 NR1I2 (0.59) NR1I2MAPTPPARGSLC22A6SLC22A8
Iodide SCHEMBL9021079 0.86 NR1I2 (0.59) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9329763 0.85 NR1I2 (0.54) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9329069 0.85 NR1I2 (0.57) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9326225 0.84 NR1I2 (0.53) NR1I2MAPTPPARGSLC22A6SLC22A8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5336768-A Bactericides HOFFMANN-LA ROCHE INC. (US) 1994-08-09 US disclosed