SCHEMBL8316778

SCHEMBL8316778

COC(=O)CSc1nnnn1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 2/20 0.52
GLA P06280 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8316776 0.85 MAPK1 (0.49) KMT2ANPC1MAPTGLAMAPK1
SCHEMBL9994163 0.80 ALDH1A1 (0.49) KMT2ANPC1MAPTGLAMAPK1
SCHEMBL6086755 0.78 ALDH1A1 (0.58) NPC1ALDH1A1HSD17B10HPGDLMNA
SCHEMBL9485513 0.78 NPC1 (0.48) KMT2ANPC1MAPTGLAMAPK1
SCHEMBL3737216 0.76 LMNA (0.60) KMT2ANPC1MAPTGLAMAPK1
SCHEMBL10403341 0.74 KMT2A (0.44) KMT2ANPC1MAPTGLAMAPK1
SCHEMBL8188675 0.73 ALDH1A1 (0.72) KMT2ANPC1MAPTMAPK1ALDH1A1
SCHEMBL10403907 0.73 KMT2A (0.43) KMT2ANPC1MAPTGLAMAPK1
SCHEMBL10403909 0.73 KMT2A (0.43) KMT2ANPC1MAPTGLAMAPK1
SCHEMBL3737213 0.73 ALDH1A1 (0.44) KMT2ANPC1MAPTGLAMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0093376-B2 1-Sulfo-2-azetidinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-04-07 EP disclosed
EP-0093376-B1 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed