SCHEMBL9685937

SCHEMBL9685937

COC(=O)c1cc(CO)c2c(c1)-c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MITF O75030 1/20 0.46
CDC25B P30305 2/20 0.44
PTPRC P08575 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN1 P18031 1/20 0.44
CDC25A P30304 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CASP3 P42574 1/20 0.43
CYP19A1 P11511 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
S100A4 P26447 1/20 0.42
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL9423356 0.84 S100A4 (0.57) MAPTMITFPTPRCNPC1RAB9A
SCHEMBL26115802 0.82 TTR (0.61) MAPTMITFCDC25BPTPRCPTPRF
SCHEMBL4920271 0.82 PTGS2 (0.44) MAPTPTPRCCASP3NPC1RAB9A
SCHEMBL9423198 0.80 TTR (0.55) MAPTMITFPTPRCTSHRNPC1
SCHEMBL23199032 0.77 BCL2 (0.57) MAPTMITFMEN1KMT2ATSHR
SCHEMBL26120300 0.75 S100A4 (0.62) MAPTMITFCDC25BPTPRCPTPRF
SCHEMBL4921071 0.75 TTR (0.61) MAPTMITFCDC25BPTPRCPTPRF
SCHEMBL9423239 0.75 MAPT (0.38) MAPTPTPRCMEN1KMT2ANPC1
SCHEMBL1712387 0.74 TTR (0.61) MAPTMITFCDC25BPTPRCPTPRF
SCHEMBL2265496 0.73 TTR (0.62) MAPTMITFCDC25BPTPRCPTPRF

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