SCHEMBL9354562

SCHEMBL9354562

COc1cccc2cc(O)c(=O)n(C(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
POLB P06746 1/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
CCR2 P41597 1/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 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
SCHEMBL15971081 0.81 KDM4E (0.44) CA12CA1CA2CA7CA9
SCHEMBL15970972 0.71 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL3747639 0.69 KDM4E (0.60) CA12CA1CA2CA7CA9
SCHEMBL6261673 0.69 HPGD (0.51) CA12CA1CA2CA7CA9
SCHEMBL30405202 0.68 FABP4 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8741171 0.67 HPGD (0.49) CA12CA1CA2CA7CA9
SCHEMBL434941 0.67 CYP19A1 (0.56) POLBHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL15431762 0.67 BACE1 (0.43) CA12CA9HSD17B10ALDH1A1KDM4E
SCHEMBL2317348 0.66 TSHR (0.47) CA12CA1CA2CA7CA9
SCHEMBL18567358 0.66 BACE1 (0.44) CA12CA9HSD17B10ALDH1A1KDM4E

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-0341990-B1 Cephalosporins, process for their preparation and pharmaceutical compositions ICI PLC (GB) 1994-11-09 EP disclosed
US-5008259-A Antibiotics active against strains of Pseudomonas and stable to beta-lactamase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-16 US disclosed
EP-0341990-A2 Cephalosporins, process for their preparation and pharmaceutical compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-15 EP disclosed