SCHEMBL11670596

SCHEMBL11670596

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C(NC(=O)OC(C)(C)C)c3ccccc3)[C@H]2[S+]([O-])C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ ELANE P08246 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NR1I2 O75469 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC22A11 Q9NSA0 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ ESR1 P03372 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ KDR P35968 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
SCHEMBL11670093 1.00 PTGS1 (0.48) PTGS1L3MBTL1CTDSP1TDP1CTSS
SCHEMBL10706148 0.93 CTDSP1 (0.43) PTGS1L3MBTL1CTDSP1TDP1CTSS
SCHEMBL11143369 0.89 BACE1 (0.39) PTGS1L3MBTL1CTDSP1TDP1CTSS
SCHEMBL11707096 0.85 CTSS (0.43) CTDSP1CTSSCTSKSCN9AELANE
SCHEMBL11143849 0.84 MAPT (0.35) PTGS1TDP1CTSSCTSKSCN9A
SCHEMBL10811905 0.83 PTGS1 (0.71) PTGS1L3MBTL1CTDSP1TDP1MAPT
SCHEMBL11215786 0.83 PTGS1 (0.71) PTGS1L3MBTL1CTDSP1TDP1MAPT
SCHEMBL11444166 0.83 PTGS1 (0.71) PTGS1L3MBTL1CTDSP1TDP1MAPT
SCHEMBL11841581 0.83 PTGS1 (0.71) PTGS1L3MBTL1CTDSP1TDP1MAPT
SCHEMBL10811911 0.83 PTGS1 (0.71) PTGS1L3MBTL1CTDSP1TDP1MAPT

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
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 — — US claimed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 — — US disclosed
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