SCHEMBL18538261

SCHEMBL18538261

Cc1cc2c(O)c(c1)Cc1cc(C)cc(c1O)Cc1cc(-c3ccccc3)cc(c1OS(=O)(=O)c1ccccc1)Cc1cc(C)cc(c1O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 2/20 0.36
ALPL P05186 1/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
F2 P00734 1/20 0.34
DUSP5 Q16690 1/20 0.34
DUSP6 Q16828 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAMTS4 O75173 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
MAOB P27338 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
ESR2 Q92731 1/20 0.33
TUBB4A P04350 1/20 0.33

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
SCHEMBL18538263 1.00 ING2 (0.36) ING2ALPLCA12CA2F2
SCHEMBL18538248 1.00 ING2 (0.36) ING2ALPLCA12CA2F2
SCHEMBL18538286 0.94 ING2 (0.47) ING2ALPLCA12CA2F2
SCHEMBL18538260 0.94 ING2 (0.40) ING2ALPLF2DUSP5DUSP6
SCHEMBL18538284 0.88 ING2 (0.53) ING2ALPLF2DUSP5DUSP6
SCHEMBL18538315 0.88 ING2 (0.53) ING2ALPLF2DUSP5DUSP6
SCHEMBL18538250 0.84 PTPN1 (0.37) ING2ALPLF2NPC1RAB9A
SCHEMBL18538265 0.84 PTPN1 (0.37) ING2ALPLF2NPC1RAB9A
SCHEMBL18538251 0.84 PTPN2 (0.40) ING2ALPLF2NPC1RAB9A
SCHEMBL18538262 0.84 PTPN2 (0.40) ING2ALPLF2NPC1RAB9A

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