SCHEMBL7526405

SCHEMBL7526405

O=C(O)c1ccc(O)c(Cc2cc(C(=O)O)ccc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.61
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA6 P23280 4/20 0.61
CA9 Q16790 4/20 0.61
MAPT P10636 3/20 0.61
CA4 P22748 3/20 0.61
CA7 P43166 3/20 0.61
CA14 Q9ULX7 3/20 0.61
KDM4E B2RXH2 3/20 0.61
POLB P06746 2/20 0.61
GAA P10253 1/20 0.61
PTGS2 P35354 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 3/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 3/20 0.48
HSP90AA1 P07900 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL8755112 0.87 CA12 (0.61) CA12CA1CA2CA6CA9
SCHEMBL9651071 0.87 MEN1 (0.59) CA12CA1CA2CA6CA9
SCHEMBL14408664 0.85 TSHR (0.51) CA12CA1CA2CA6CA9
SCHEMBL487507 0.85 HSP90AA1 (0.62) CA12CA1CA2CA6CA9
SCHEMBL4109854 0.85 PKM (0.69) CA12CA1CA2CA6CA9
SCHEMBL2581138 0.83 KDM4E (0.57) CA12CA1CA2CA6CA9
SCHEMBL8131822 0.83 CA1 (0.57) CA12CA1CA2CA6CA9
SCHEMBL27519694 0.83 CA1 (0.57) CA12CA1CA2CA6CA9
SCHEMBL10950465 0.83 CA12 (0.61) CA12CA1CA2CA6CA9
SCHEMBL14273028 0.82 MEN1 (0.58) CA12CA1CA2CA6CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711774-B1 Crystalline cephem-addition salts and process for their preparation AVENTIS PHARMA GMBH (DE) 2002-02-13 EP claimed
US-5747484-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-05 US claimed
US-4562242-A Branched polycarbonate from carboxy containing diphenol GENERAL ELECTRIC COMPANY (US) 1985-12-31 US claimed
US-5747484-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed
US-4562242-A Branched polycarbonate from carboxy containing diphenol GENERAL ELECTRIC COMPANY (US) 1985-12-31 US disclosed