SCHEMBL10830403

SCHEMBL10830403

Cc1ccc(C2(c3ccccc3)OCc3c2cnc(C)c3OCC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
CD69 Q07108 2/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL10830385 0.80 MAPT (0.34) KMT2AMAPTKDM4EALDH1A1POLB
SCHEMBL10660735 0.80 KMT2A (0.37) KMT2AMAPTKDM4EMEN1
SCHEMBL10829666 0.77 KMT2A (0.39) KMT2AMAPTKDM4EALDH1A1PTGDR2
SCHEMBL10829999 0.77 MAPT (0.39) KMT2AMAPTALDH1A1PTGDR2CD69
SCHEMBL10660703 0.74 KMT2A (0.40) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL10829981 0.74 MAPT (0.39) KMT2AMAPTKDM4EALDH1A1CD69
SCHEMBL10829798 0.72 MAPT (0.34) KMT2AMAPT
SCHEMBL10830430 0.72 MAPT (0.34) KMT2AMAPT
SCHEMBL10829993 0.72 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1PTGDR2CD69
SCHEMBL10829772 0.71 MAPT (0.35) KMT2AMAPTPSEN1

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-4569938-A Diuretic, antihypertensive and antihistaminic 7-carboxymethoxy-furo-(3,4-c)-pyridine derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1986-02-11 US disclosed