SCHEMBL5322497

SCHEMBL5322497

CCOc1ccc([C@]2(C)CNCCN2C(=O)[C@@H](CC(C)C)[C@H](O)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
TET3 O43151 1/20 0.35
KMT2A Q03164 1/20 0.35
FBXL19 Q6PCT2 1/20 0.35
CXXC5 Q7LFL8 1/20 0.35
TET1 Q8NFU7 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
CXXC4 Q9H2H0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
CHRM5 P08912 1/20 0.34
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5317625 0.90 MMP1 (0.34) SLC6A2SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL5378455 0.90 MMP2 (0.42) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1
SCHEMBL5395845 0.88 MMP1 (0.35) KMT2AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL5324832 0.85 HPGD (0.34) KMT2AHPGDALDH1A1
SCHEMBL5319325 0.82 CCR1 (0.34)
SCHEMBL5318347 0.82 ALDH1A1 (0.35) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL5464768 0.81 SCN7A (0.33) SMN1; SMN2
SCHEMBL5319634 0.81 MMP2 (0.43) KMT2AALDH1A1HSD17B10
SCHEMBL5419543 0.80 ALDH1A1 (0.35) SLC6A4SLC6A3CHRM5KDM4EL3MBTL1
SCHEMBL5316662 0.80 MTNR1B (0.37) SLC6A2SLC6A4CYP2C19

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-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed