SCHEMBL9864082

SCHEMBL9864082

COC1=CC(=O)C(=O)c2c(OC)cccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
GAPDH P04406 1/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
APAF1 O14727 1/20 0.57
MITF O75030 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
TOP1 P11387 1/20 0.54
EGFR P00533 1/20 0.53
PIM1 P11309 1/20 0.53
IDO1 P14902 2/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
BACE1 P56817 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
DUSP3 P51452 1/20 0.50

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
SCHEMBL8582559 0.86 GAPDH (0.69) PTPN1GAPDHALDH1A1MAPTAPAF1
SCHEMBL9627572 0.83 ALDH1A1 (0.71) PTPN1GAPDHALDH1A1MAPTAPAF1
SCHEMBL30003153 0.83 ALDH1A1 (0.71) PTPN1GAPDHALDH1A1MAPTAPAF1
SCHEMBL3417492 0.79 EGFR (0.76) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL8947495 0.77 EGFR (0.73) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL7792566 0.76 EGFR (0.71) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL5161123 0.76 PTPN1 (1.00) PTPN1ALDH1A1MAPTLMNAIDO1
SCHEMBL30081943 0.76 PTPN1 (1.00) PTPN1ALDH1A1MAPTLMNAIDO1
SCHEMBL28575370 0.75 MEN1 (0.72) ALDH1A1MAPTAPAF1MITFLMNA
SCHEMBL16879423 0.75 BACE1 (0.57) GAPDHALDH1A1MAPTAPAF1MITF

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
EP-0413224-A1 Fungicidal agent containing 1,2-naphthoquinones BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed