SCHEMBL9029495

SCHEMBL9029495

COc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)OCCN2CCOCC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
MMP2 P08253 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ANPEP P15144 1/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP13 P45452 2/20 0.43
ATM Q13315 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
SLC5A7 Q9GZV3 1/20 0.41

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
SCHEMBL9029483 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL9029289 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL9029299 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL9307811 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1MMP2
SCHEMBL9310091 0.80 ANPEP (0.64) CYP2C9ALDH1A1KMT2AMEN1MMP2
SCHEMBL21697319 0.76 MMP2 (0.50) CYP2D6CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL9310050 0.76 MMP2 (0.50) CYP2C9ALDH1A1KMT2AMEN1MMP2
SCHEMBL9028847 0.76 MMP2 (0.50) CYP2D6CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL9029677 0.76 MMP2 (0.50) CYP2C9ALDH1A1KMT2AMEN1MMP2
SCHEMBL9028843 0.76 MMP2 (0.50) CYP2D6CYP2C9ALDH1A1KMT2AMEN1

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
EP-0486386-B1 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR (FR) 1996-07-17 EP claimed
US-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US claimed