SCHEMBL9683950

SCHEMBL9683950

CSc1ccccc1-c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
TTR P02766 1/20 0.47
PTPRC P08575 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
SRD5A2 P31213 2/20 0.41
SRD5A1 P18405 1/20 0.41
CDC25A P30304 2/20 0.40
CDC25B P30305 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL13601591 0.84 PTPN7 (0.48) ARTTRPTPRCKDM4ETDP1
SCHEMBL1899355 0.83 POLB (0.53) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL10787725 0.81 TTR (0.58) TTRPTPRCKDM4ETDP1ALDH1A1
SCHEMBL29370227 0.79 KDM4E (0.55) TTRPTPRCKDM4ETDP1POLB
SCHEMBL7633476 0.79 KDM4E (0.55) TTRPTPRCKDM4ETDP1POLB
SCHEMBL29699465 0.79 KDM4E (0.55) TTRPTPRCKDM4ETDP1POLB
SCHEMBL629880 0.79 MYC (0.54) TTRPTPRCKDM4EALDH1A1POLB
SCHEMBL10453980 0.78 AR (0.49) ARKDM4ETDP1ALDH1A1POLB
SCHEMBL9435927 0.77 PTPRC (0.56) TTRPTPRCKDM4EALDH1A1POLB
SCHEMBL890771 0.77 AR (0.49) ARKDM4EALDH1A1SRD5A2MAPT

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