SCHEMBL9540948

SCHEMBL9540948

CCOC(=O)CC(=O)C1C2C=CC(C2)C1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 5/20 0.50
TDP1 Q9NUW8 3/20 0.48
CASP6 P55212 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42

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
SCHEMBL19323400 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL19324112 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL27948552 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL19318637 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL19318634 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL29307701 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL5837751 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL5837756 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL7594331 0.80 POLB (0.69) ALDH1A1RAB9APOLBTDP1CASP6
SCHEMBL20867585 0.78 POLB (0.51) ALDH1A1RAB9APOLBTDP1SMN1; SMN2

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-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO claimed
WO-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO disclosed