SCHEMBL9298979

SCHEMBL9298979

CC1(C)CC(=O)C(C(=O)C2CC2)C(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.54
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HIF1A Q16665 2/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL7934805 0.92 MAPT (0.52) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10734145 0.82 MAPT (0.45) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL8995854 0.78 MAPT (0.40) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL3631729 0.77 ALDH1A1 (0.71) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL11304206 0.76 ALDH1A1 (0.59) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL313930 0.76 ALDH1A1 (0.59) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10728783 0.74 MAPT (0.39) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10732645 0.74 MAPT (0.39) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL313967 0.74 ALDH1A1 (0.57) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10192859 0.73 ALDH1A1 (0.47) ALDH1A1KMT2A

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-0609259-A1 CYCLOHEXENONE DERIVATES USED AS HERBICIDES. BASF AG (DE) 1994-08-10 EP disclosed