SCHEMBL8995854

SCHEMBL8995854

O=C1CC(C(=O)O)(C(=O)O)CC(=O)C1C(=O)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 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
SCHEMBL10734145 0.81 MAPT (0.45) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL9298979 0.78 MAPT (0.55) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10728783 0.77 MAPT (0.39) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10732645 0.77 MAPT (0.39) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10732803 0.73 MAPT (0.37) MAPTSMN1; SMN2GAAALDH1A1KDM4E
Bicarbonate SCHEMBL10894874 0.72 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1
SCHEMBL10192859 0.72 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9483336 0.71 AKR1C3 (0.37) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL10727475 0.71 MAPT (0.38) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10728337 0.71 MAPT (0.38) MAPTSMN1; SMN2GAAALDH1A1KDM4E

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-5523462-A HERBICIDES; PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed