SCHEMBL9684489

SCHEMBL9684489

COC(=O)c1ccc2c(c1)-c1cc([Sn](C)(C)C)ccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.49
CASP3 P42574 1/20 0.48
PTGS2 P35354 1/20 0.46
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
CA4 P22748 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 6/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
PTPRF P10586 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
SCHEMBL9685931 0.97 PTPRC (0.47) PTPRCCASP3PTGS2CA1CA2
SCHEMBL13550874 0.87 PTPRC (0.60) PTPRCCASP3PTGS2CA1CA2
SCHEMBL25260739 0.84 PTPRC (0.57) PTPRCCASP3PTGS2CA1CA2
SCHEMBL31065274 0.84 PTPRC (0.57) PTPRCCASP3PTGS2CA1CA2
SCHEMBL9769408 0.84 PTPRC (0.60) PTPRCCASP3PTGS2CA1CA2
SCHEMBL9769488 0.84 PTPRC (0.60) PTPRCCASP3PTGS2CA1CA2
SCHEMBL9684730 0.82 TERT (0.43) PTPRCALDH1A1ATMRAB9ANPC1
SCHEMBL9685511 0.81 MEN1 (0.47) PTPRCSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL26120300 0.81 S100A4 (0.62) PTPRCCASP3PTGS2SMN1; SMN2ALDH1A1
SCHEMBL11846453 0.80 PTPRC (0.60) PTPRCCASP3PTGS2CA1CA2

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
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed