SCHEMBL8809929

SCHEMBL8809929

CC1=C(C(=O)O)N2C(=O)[C@H](Br)[C@H]2S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
CACNA1B Q00975 3/20 0.33
APBA1 Q02410 3/20 0.33
PTGS1 P23219 1/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
SLC15A2 Q16348 2/20 0.32
MAPT P10636 2/20 0.32
ESR1 P03372 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP2C19 P33261 2/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL9755490 0.81 MEN1 (0.31) KMT2AMEN1CACNA1BAPBA1PTGS1
SCHEMBL10402653 0.81 ELANE (0.39) ELANEKMT2AMEN1CACNA1BAPBA1
SCHEMBL10402651 0.81 ELANE (0.39) ELANEKMT2AMEN1CACNA1BAPBA1
SCHEMBL11153256 0.79 ELANE (0.38) ELANEKMT2AMEN1CACNA1BAPBA1
SCHEMBL11178071 0.78 ELANE (0.37) ELANEKMT2AMEN1CACNA1BAPBA1
SCHEMBL10403488 0.77 ELANE (0.60) ELANEKMT2AMEN1CACNA1BAPBA1
SCHEMBL10403487 0.77 ELANE (0.60) ELANEKMT2AMEN1CACNA1BAPBA1
SCHEMBL10402395 0.77 ELANE (0.40) ELANEKMT2AMEN1CACNA1BAPBA1
SCHEMBL10402352 0.77 ELANE (0.39) ELANEKMT2AMEN1CACNA1BAPBA1
SCHEMBL10403476 0.76 ELANE (0.36) ELANEKMT2AMEN1CACNA1BAPBA1

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
EP-0232966-B1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1997-10-08 EP disclosed
EP-0232966-A1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1987-08-19 EP disclosed