SCHEMBL10830006

SCHEMBL10830006

CCC1OCc2c1cnc(C)c2OCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
CD69 Q07108 3/20 0.33
FFAR1 O14842 1/20 0.32
ELANE P08246 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL10829959 0.81 KMT2A (0.37) CD69KMT2AMAPTKDM4EALDH1A1
SCHEMBL10829680 0.78 ALDH1A1 (0.37) KMT2AKDM4EALDH1A1PTGDR2PKM
SCHEMBL10830004 0.78 PTGDR2 (0.35) CD69FFAR1KMT2AMAPTKDM4E
SCHEMBL10829782 0.76 CD69 (0.36) HCAR2CD69KMT2AMAPTKDM4E
SCHEMBL10830680 0.76 HCAR2 (0.39) HCAR2KMT2AKDM4EPKMHTT
SCHEMBL10830719 0.71 FFAR1 (0.33) FFAR1PPARG
SCHEMBL10829772 0.66 MAPT (0.35) KMT2AMAPT
SCHEMBL10829981 0.65 MAPT (0.39) CD69KMT2AMAPTKDM4EALDH1A1
SCHEMBL2059331 0.65 KMT2A (0.46) CD69ELANEKMT2AKDM4EPKM
SCHEMBL10830403 0.64 KMT2A (0.42) CD69KMT2AMAPTKDM4EALDH1A1

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