SCHEMBL9706660

SCHEMBL9706660

COC(=O)C(Sc1ccccc1)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
EDNRB P24530 4/20 0.42
EDNRA P25101 4/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL7936610 0.77 KMT2A (0.43) MAPTKMT2AEDNRBEDNRAPTGES
SCHEMBL9562994 0.76 CYP1A2 (0.41) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL7937196 0.75 EDNRB (0.49) EDNRBEDNRA
SCHEMBL1069539 0.74 EDNRB (0.55) EDNRBEDNRA
SCHEMBL9401416 0.73 CYP1A2 (0.42) KMT2AKDM4EALDH1A1
SCHEMBL9563038 0.71 ALDH1A1 (0.40) KDM4EALDH1A1PTGESALOX5PPARG
SCHEMBL9562993 0.71 CYP1A2 (0.41) KMT2AKDM4EALDH1A1
SCHEMBL8109239 0.71 EDNRB (0.57) EDNRBEDNRA
SCHEMBL9706694 0.69 ALDH1A1 (0.43) MAPTKDM4EALDH1A1
SCHEMBL7934306 0.69 EDNRB (0.46) MAPTKMT2AEDNRBEDNRAKDM4E

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
WO-1992010484-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-06-25 WO claimed
WO-1992010484-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-06-25 WO disclosed