SCHEMBL11013696

SCHEMBL11013696

O=C(OC(c1ccccc1)c1ccccc1)C1=C(CO)CS[C@H]2[C@@H](NC(=O)c3ccc(C(=O)O)cc3)C(=O)N12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ PTGS1 P23219 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ SLC15A2 Q16348 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ NR1I2 O75469 2/20 0.47
▸ BLM P54132 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47

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
SCHEMBL11013692 1.00 MAPT (0.51) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11011150 0.94 MAPT (0.51) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11011154 0.94 MAPT (0.51) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11012070 0.93 MAPT (0.50) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11011083 0.93 MAPT (0.48) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11011087 0.93 MAPT (0.48) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11065174 0.91 PTGS1 (0.47) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11065181 0.91 PTGS1 (0.47) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11010384 0.89 ALDH1A1 (0.46) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10
SCHEMBL11010380 0.89 ALDH1A1 (0.46) MAPTPTGS1L3MBTL1ALDH1A1HSD17B10

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-4537720-A N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1985-08-27 — — US disclosed
US-4436596-A N-Substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-03-13 — — US disclosed
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