SCHEMBL11378592

SCHEMBL11378592

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)c3coc4cc(O)c(O)cc4c3=O)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.60
▸ L3MBTL1 Q9Y468 4/20 0.57
▸ TDP1 Q9NUW8 7/20 0.53
▸ MAPT P10636 9/20 0.51
▸ NR1I2 O75469 3/20 0.51
▸ CTDSP1 Q9GZU7 3/20 0.51
▸ DNMT1 P26358 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ SLC22A8 Q8TCC7 1/20 0.51
▸ SLC22A11 Q9NSA0 1/20 0.51
▸ POLB P06746 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45

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
SCHEMBL11358244 0.96 PTGS1 (0.54) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11042947 0.93 PTGS1 (0.52) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11388339 0.93 PTGS1 (0.59) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL10991005 0.93 L3MBTL1 (0.53) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL10991002 0.93 L3MBTL1 (0.53) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11367828 0.92 PTGS1 (0.63) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11376741 0.91 PTGS1 (0.58) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11386047 0.90 PTGS1 (0.59) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11123628 0.90 PTGS1 (0.56) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11360177 0.90 PTGS1 (0.53) PTGS1L3MBTL1TDP1MAPTNR1I2

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-4285939-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 — — US claimed
US-4285939-A ANTIBIOTICS EISAI CO., LTD. (JP) 1981-08-25 — — US disclosed
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