SCHEMBL9016635

SCHEMBL9016635

CSc1sc2cc(OC(=O)OC(C)(C)C)c(OC(=O)OC(C)(C)C)cc2c(=O)c1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CA2 P00918 1/20 0.31
STING1 Q86WV6 1/20 0.31
ELANE P08246 1/20 0.31
CUL4A Q13619 1/20 0.30

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
SCHEMBL9016762 0.79 CA2 (0.30) CA2
SCHEMBL9016725 0.77 CA2 (0.33) CA2STING1ELANE
SCHEMBL9016666 0.72 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL9016696 0.72 GPR35 (0.38)
SCHEMBL9016576 0.71 ELANE (0.34) CA2STING1ELANE
SCHEMBL9016694 0.65 NPC1 (0.37)
SCHEMBL9016695 0.64
SCHEMBL23259165 0.64 ELANE (0.40) MTNR1AMTNR1BELANE
SCHEMBL23258536 0.64 PKM (0.43) MTNR1AMTNR1BCA2ELANE
SCHEMBL15839314 0.63 RAB9A (0.46) CA2STING1

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-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed