SCHEMBL10829680

SCHEMBL10829680

Cc1ncc2c(c1OCC(=O)O)COC2c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
PTGDR2 Q9Y5Y4 6/20 0.36
PTGDR Q13258 3/20 0.36
KMT2A Q03164 2/20 0.35
PTGER2 P43116 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
MDM2 Q00987 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
MAP4K4 O95819 1/20 0.33
HPGD P15428 1/20 0.33
P2RY2 P41231 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
SCHEMBL10829959 0.90 KMT2A (0.37) ALDH1A1PTGDR2KMT2AKDM4EPOLB
SCHEMBL10830004 0.89 PTGDR2 (0.35) ALDH1A1PTGDR2PTGDRKMT2AKDM4E
SCHEMBL3488954 0.86 MAPT (0.36) ALDH1A1KMT2AMAPK1
SCHEMBL638387 0.86 MAPT (0.36) ALDH1A1KMT2AMAPK1
SCHEMBL3490574 0.85 FFAR4 (0.34) ALDH1A1KMT2AKDM4EMDM2MAPK1
SCHEMBL636420 0.85 FFAR4 (0.34) ALDH1A1KMT2AKDM4EMDM2MAPK1
SCHEMBL638386 0.85 MAPT (0.35) ALDH1A1KMT2AKDM4EHTTPOLB
SCHEMBL3488951 0.85 MAPT (0.35) ALDH1A1KMT2AKDM4EHTTPOLB
SCHEMBL3490573 0.84 MAPT (0.33) KMT2AMAPK1
SCHEMBL636419 0.84 MAPT (0.33) KMT2AMAPK1

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