SCHEMBL9307811

SCHEMBL9307811

CCOC(=O)C1CC(O)CN1C(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
POLB P06746 1/20 0.54
CYP2C19 P33261 1/20 0.54
MMP2 P08253 2/20 0.51
ANPEP P15144 2/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIRT3 Q9NTG7 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL9310091 0.88 ANPEP (0.64) ALDH1A1POLBCYP2C19MMP2ANPEP
SCHEMBL9027917 0.87 MEN1 (0.48) ALDH1A1MMP2ANPEPKMT2AMEN1
SCHEMBL9027922 0.87 MEN1 (0.48) ALDH1A1MMP2ANPEPKMT2AMEN1
SCHEMBL9307716 0.85 ALDH1A1 (0.49) ALDH1A1MMP2KMT2AMEN1KDM4E
SCHEMBL21697319 0.84 MMP2 (0.50) ALDH1A1POLBCYP2C19MMP2ANPEP
SCHEMBL9310050 0.84 MMP2 (0.50) ALDH1A1POLBCYP2C19MMP2ANPEP
SCHEMBL9028843 0.84 MMP2 (0.50) ALDH1A1POLBCYP2C19MMP2ANPEP
SCHEMBL9028847 0.84 MMP2 (0.50) ALDH1A1POLBCYP2C19MMP2ANPEP
SCHEMBL9029677 0.84 MMP2 (0.50) ALDH1A1POLBCYP2C19MMP2ANPEP
SCHEMBL9310068 0.84 MMP2 (0.50) ALDH1A1POLBCYP2C19MMP2ANPEP

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-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed