SCHEMBL16994469

SCHEMBL16994469

COc1cc(Cc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c(-c2cc3cc(OC)c(OC)cc3n3ccnc23)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.38
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ PDE10A Q9Y233 4/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ CCNE1 P24864 1/20 0.32

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
SCHEMBL14906941 0.72 SRD5A1 (0.36) SRD5A1SRD5A2MTNR1AMTNR1BACHE
SCHEMBL16994470 0.69 PDGFRB (0.40) PDGFRBPDGFRAALDH1A1GLAGAA
SCHEMBL12074764 0.68 CCNE1 (0.43) CYP11B1CYP11B2CCNE1CDK2MAPK8
SCHEMBL12070662 0.64 PTAFR (0.51) PTAFRPDGFRBPDGFRAALDH1A1MAPT
SCHEMBL12075017 0.63 PDGFRB (0.67) PDGFRBPDGFRAALDH1A1GLAGAA
SCHEMBL14903985 0.62 MTNR1A (0.33) CYP11B1CYP11B2MTNR1AMTNR1B
SCHEMBL12074762 0.61 PDE10A (0.43) PDGFRBPDGFRACYP11B1CYP11B2ALDH1A1
SCHEMBL31444727 0.60 MAPT (0.42) PTAFRCYP11B1CYP11B2ALDH1A1GAA
SCHEMBL12074885 0.57 PDGFRB (0.94) PDGFRBPDGFRAALDH1A1GLAGAA
SCHEMBL1905594 0.57 KDR (0.45) PDGFRBPDGFRAMAPTSYKPDE10A

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
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