SCHEMBL11689685

SCHEMBL11689685

COc1ccc(OC)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.68
▸ PIM1 P11309 1/20 0.68
▸ MAPT P10636 7/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ MAPK1 P28482 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.57
▸ S1PR4 O95977 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ G6PD P11413 1/20 0.57
▸ S1PR1 P21453 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ CACNA1B Q00975 1/20 0.57
▸ APBA1 Q02410 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ APOBEC3G Q9HC16 1/20 0.57
▸ TLR9 Q9NR96 1/20 0.57
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55

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
SCHEMBL25167179 0.88 MAPT (0.78) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL28916427 0.87 KMT2A (0.79) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL11134106 0.86 MAPT (0.73) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL23199095 0.82 ALDH1A1 (0.60) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL5806074 0.82 MAPT (0.61) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL11528272 0.81 EGFR (1.00) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL17265615 0.79 PIM1 (0.66) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL16227013 0.79 EGFR (0.57) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL3192484 0.78 CSNK2A2 (0.70) EGFRPIM1MAPTKDM4EMAPK1
SCHEMBL5821883 0.77 EGFR (0.51) EGFRPIM1MAPTKDM4EMAPK1

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-4021457-A Intermediates for polycyclic quinonoid antibiotics RESEARCH CORPORATION (US) 1977-05-03 — — US disclosed
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