SCHEMBL8642124

SCHEMBL8642124

COc1ccc(COC(=O)CBr)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.49
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL8865449 0.88 APLNR (0.56) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5834513 0.87 ALDH1A1 (0.46) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL21125954 0.85 APLNR (0.49) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL8865459 0.84 APLNR (0.51) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL29081751 0.84 POLB (0.48) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL27621744 0.83 APLNR (0.53) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL19860802 0.81 APLNR (0.51) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL11819760 0.81 APLNR (0.51) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL28309457 0.79 APLNR (0.53) APLNRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL23743701 0.78 HSD17B10 (0.46) APLNRHSD17B10MEN1KMT2AALDH1A1

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
EP-0679652-B1 Process for preparing carbapenem compounds SUMITOMO PHARMA (JP) 1998-08-19 EP disclosed
US-5578722-A Process for preparing carbapenem compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-11-26 US disclosed
EP-0679652-A1 Process for preparing carbapenem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-11-02 EP disclosed