SCHEMBL9380807

SCHEMBL9380807

COc1ccc(C2=CCC2)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.54
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL557441 0.86 PSMB5 (0.52) PTGS2ALDH1A1KDM4EHPGDHDAC4
SCHEMBL8505494 0.84 PSMB5 (0.51) PTGS2ALDH1A1KDM4EHPGDHDAC4
SCHEMBL642228 0.79 HDAC4 (0.58) PTGS2ALDH1A1KDM4EHPGDHDAC4
SCHEMBL3674074 0.73 CA9 (0.50) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL30701949 0.73 CA9 (0.50) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL27896612 0.73 ALDH1A1 (0.56) PTGS2ALDH1A1KDM4EHPGDHDAC4
SCHEMBL8502139 0.72 KDM4E (0.50) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL28816282 0.72 KDM4E (0.54) PTGS2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL27996928 0.72 KDM4E (0.54) PTGS2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL29068845 0.71 HDAC4 (0.47) PTGS2ALDH1A1KDM4EHPGDHDAC4

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
EP-0428437-B1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-08-17 EP disclosed
EP-0428437-A1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-05-22 EP disclosed