SCHEMBL11003403

SCHEMBL11003403

CCOC(=O)c1cnc(Cc2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.70
MAPT P10636 7/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.52
USP2 O75604 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 2/20 0.52
HIF1A Q16665 2/20 0.52
PDE10A Q9Y233 2/20 0.52
PDE2A O00408 1/20 0.52
ABCC4 O15439 1/20 0.52
PDE5A O76074 1/20 0.52

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
SCHEMBL11001937 0.89 PDE10A (0.55) DPP4MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL5744977 0.88 DPP4 (0.70) DPP4MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL5744663 0.86 DPP4 (0.65) DPP4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL5745762 0.86 DPP4 (0.65) DPP4MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL10705145 0.85 PDE10A (0.56) DPP4MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL5744910 0.83 DPP4 (0.60) DPP4SMN1; SMN2KDM4EKMT2AHTT
SCHEMBL5743621 0.83 DPP4 (0.60) DPP4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL5745244 0.83 DPP4 (0.66) DPP4MAPTSMN1; SMN2POLBKMT2A
SCHEMBL3361845 0.83 DPP4 (1.00) DPP4MAPTLMNATP53
SCHEMBL5743886 0.82 DPP4 (0.59) DPP4KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4559403-A FOR TREATMENT OF CEREBRAL AND CARDIAC ISCHEMIAS HOFFMANN-LA ROCHE INC. (US) 1985-12-17 US disclosed
US-4544657-A ANTISCHEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-10-01 US disclosed