SCHEMBL8798065

SCHEMBL8798065

O=C1C=CC2(C=C1)CC1(CC1)O2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.30
BCHE P06276 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
MDM2 Q00987 1/20 0.30
DHODH Q02127 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8797847 0.91 POLB (0.33) HSD17B10TP53MAPTALOX15POLB
SCHEMBL8797867 0.91 POLB (0.37) HSD17B10TP53MAPTALOX15POLB
SCHEMBL8797497 0.77 TP53 (0.30) HSD17B10TP53MAPTALOX15
SCHEMBL8799941 0.72
SCHEMBL8797307 0.72 POLB (0.30) MAPTPOLB
SCHEMBL8797697 0.72 TP53 (0.33) HSD17B10TP53MAPTALOX15
SCHEMBL31036789 0.70
SCHEMBL14191455 0.69
SCHEMBL3673479 0.67 POLB (0.34) HSD17B10TP53MAPTALOX15POLB
SCHEMBL20597935 0.67 CYP19A1 (0.33) HSD17B10TP53MAPTALOX15

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
EP-0643712-B1 SPIRO-OXETANES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1997-11-26 EP disclosed