SCHEMBL21169878

SCHEMBL21169878

O=NC(=O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cc(-c3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
RXRA P19793 7/20 0.55
RXRB P28702 6/20 0.55
RXRG P48443 2/20 0.50
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
ERN1 O75460 1/20 0.43
GRIK1 P39086 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
SCHEMBL14997458 0.87 TSHR (0.63) TP53TSHRCA12CA1CA2
SCHEMBL22734016 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1
SCHEMBL30610360 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1
SCHEMBL15521764 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1
SCHEMBL864660 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1
SCHEMBL23202431 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1
SCHEMBL21133280 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1
SCHEMBL21133337 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1
SCHEMBL142861 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1
SCHEMBL30610361 0.85 EGFR (0.72) EGFRRXRARXRBRXRGBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300797-B1 POROUS COORDINATION POLYMER AND GAS STORAGE USING THE SAME PANASONIC IP MAN CO LTD (JP) 2019-07-17 EP disclosed