SCHEMBL12074910

SCHEMBL12074910

CCC[n+]1cc(-c2cc(OC)c(OC)c(-c3ccc(-c4ccccc4)cc3)c2)cc2cc(OC)c(OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MGAM O43451 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ SI P14410 2/20 0.33
▸ MGAM2 Q2M2H8 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL14904028 0.90 PDCD1 (0.36) ACACAFYNKDM4EALDH1A1KMT2A
SCHEMBL12074251 0.88 TDO2 (0.34) FYNMGAMGAASIMGAM2
SCHEMBL12074904 0.83 TGFBR1 (0.37) PDGFRBPDGFRAKDM4EALDH1A1HSD17B10
SCHEMBL12074908 0.83 ACACA (0.41) ACACAFYNPDGFRBPDGFRACTDSP1
SCHEMBL14904053 0.81 TDO2 (0.33) FYNPDGFRBKMT2AMEN1MAPT
SCHEMBL14904030 0.78 PDE4A (0.33) FYNMGAMGAASIMGAM2
SCHEMBL12074073 0.75 FYN (0.41) ACACAFYNPDGFRBKDM4EALDH1A1
SCHEMBL14904032 0.75 TGFBR1 (0.35) —
SCHEMBL14904027 0.74 PDCD1 (0.39) ACACAFYNKDM4EALDH1A1KMT2A
SCHEMBL12074861 0.72 SLC10A2 (0.44) FYNPDGFRBPDGFRAKDM4EKMT2A

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
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — WO disclosed
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