SCHEMBL18538282

SCHEMBL18538282

Cc1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(-c3ccc(C(=O)O)cc3)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ING2 Q9H160 3/20 0.59
▸ RXRA P19793 6/20 0.51
▸ RXRB P28702 5/20 0.51
▸ CD69 Q07108 1/20 0.46
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ EGFR P00533 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ RXRG P48443 1/20 0.38
▸ DUSP5 Q16690 1/20 0.38
▸ DUSP6 Q16828 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18538312 0.88 ING2 (0.62) ING2DUSP5DUSP6
SCHEMBL18538306 0.87 ING2 (0.60) ING2CA1CA2CA9DUSP5
SCHEMBL18538304 0.87 ING2 (0.60) ING2CA1CA2CA9DUSP5
SCHEMBL18538309 0.86 ING2 (0.52) ING2RXRARXRBCA12CA1
SCHEMBL18538279 0.86 RXRA (0.60) ING2RXRARXRBCD69EGFR
SCHEMBL18538271 0.84 ING2 (0.50) ING2RXRARXRBCA2RXRG
SCHEMBL19817546 0.82 ING2 (0.89) ING2CA12CA1CA2CA9
SCHEMBL19817553 0.82 ING2 (0.89) ING2CA12CA1CA2CA9
SCHEMBL18538311 0.82 ING2 (0.54) ING2RXRARXRBCA2EGFR
SCHEMBL22828087 0.82 ING2 (0.81) ING2LCKFYNCA12CA1

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
US-20170052154-A1 COMPOUNDS AND CONJUGATES FOR IDENTIFYING AND SEPARATING POST-TRANSLATIONALLY MODIFIED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2017-02-23 — — US disclosed
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