SCHEMBL11010380

SCHEMBL11010380

O=C(OC(c1ccccc1)c1ccccc1)C1=C(CO)CS[C@@H]2C(NC(=O)c3ccc(Cl)c(Cl)c3)C(=O)N12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ SLC15A2 Q16348 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44

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
SCHEMBL11010384 1.00 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11011087 0.91 MAPT (0.48) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11011083 0.91 MAPT (0.48) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11013696 0.89 MAPT (0.51) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11013692 0.89 MAPT (0.51) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11011150 0.88 MAPT (0.51) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11011154 0.88 MAPT (0.51) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11014868 0.88 L3MBTL1 (0.49) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11014870 0.88 L3MBTL1 (0.49) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL11012070 0.87 MAPT (0.50) ALDH1A1MAPTHSD17B10KDM4EKMT2A

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 3 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
EP-0109816-A1 N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-05-30 — — EP 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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