SCHEMBL18538278

SCHEMBL18538278

Cc1cc2c(O)c(c1)Cc1cc(C(=O)O)cc(c1O)Cc1cc(C(=O)O)cc(c1OCC(=O)O)Cc1cc(C(=O)O)cc(c1O)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 6/20 0.54
▸ ELANE P08246 1/20 0.54
▸ GSTA1 P08263 6/20 0.40
▸ GSTP1 P09211 6/20 0.40
▸ TPMT P51580 1/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL18538316 1.00 CD69 (0.54) CD69ELANEGSTA1GSTP1TPMT
SCHEMBL18538276 0.83 ING2 (0.54) CD69ELANEGSTA1GSTP1
SCHEMBL18538275 0.83 CD69 (0.52) CD69ELANEGSTA1GSTP1KDM4E
SCHEMBL18538318 0.83 ING2 (0.54) CD69ELANEGSTA1GSTP1
SCHEMBL18538272 0.83 CD69 (0.52) CD69ELANEGSTA1GSTP1KDM4E
SCHEMBL18538268 0.83 CD69 (0.52) CD69ELANEGSTA1GSTP1KDM4E
SCHEMBL18538267 0.81 CD69 (0.50) CD69ELANEMEN1KMT2A
SCHEMBL18538277 0.75 ING2 (0.45) CD69ELANEGSTA1GSTP1
SCHEMBL18538281 0.73 CD69 (0.40) CD69ELANEGSTA1GSTP1KMT2A
SCHEMBL18538266 0.73 CD69 (0.40) CD69ELANEGSTA1GSTP1KMT2A

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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