SCHEMBL17528778

SCHEMBL17528778

COc1ccc(COC(=O)C2=C(COC(=O)C(F)(F)F)CS[C@@H]3[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4nsc(N)n4)C(=O)N23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ NR1I2 O75469 4/20 0.44
▸ PPARG P37231 2/20 0.44
▸ ALB P02768 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC22A11 Q9NSA0 1/20 0.44
▸ HTR2C P28335 1/20 0.42
▸ TDP1 Q9NUW8 7/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ ABCC4 O15439 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL22449554 1.00 MAPT (0.44) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL3111744 0.93 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL3111746 0.93 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL19707205 0.93 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL17897722 0.92 MAPT (0.42) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL12968453 0.84 CTDSP1 (0.39) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL9173651 0.84 TDP1 (0.49) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL21307548 0.83 NR1I2 (0.56) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL12968958 0.83 NR1I2 (0.56) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL17528943 0.83 NR1I2 (0.56) MAPTNR1I2PPARGALBSLC22A6

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
WO-2016025839-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-18 — — WO disclosed
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