SCHEMBL8316776

SCHEMBL8316776

[CH2]OC(=O)CSc1nnnn1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8316778 0.85 KMT2A (0.58) MAPK1KMT2ANPC1GLAMAPT
SCHEMBL6086748 0.77 ALDH1A1 (0.53) NPC1MAPTALDH1A1RAB9ALMNA
SCHEMBL9994163 0.76 ALDH1A1 (0.49) MAPK1KMT2ANPC1GLAMAPT
SCHEMBL3737213 0.76 ALDH1A1 (0.44) MAPK1KMT2ANPC1GLAMAPT
SCHEMBL10403341 0.74 KMT2A (0.44) MAPK1KMT2ANPC1GLAMAPT
SCHEMBL10403907 0.73 KMT2A (0.43) MAPK1KMT2ANPC1GLAMAPT
SCHEMBL10403909 0.73 KMT2A (0.43) MAPK1KMT2ANPC1GLAMAPT
SCHEMBL3737216 0.73 LMNA (0.60) MAPK1KMT2ANPC1GLAMAPT
SCHEMBL10769901 0.71 KMT2A (0.41) MAPK1KMT2ANPC1GLAMAPT
SCHEMBL10403600 0.70 POLB (0.53) MAPK1KMT2ANPC1ALDH1A1TSHR

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