SCHEMBL5317625

SCHEMBL5317625

COc1ccc([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
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
MMP9 P14780 1/20 0.34
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MC4R P32245 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 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
SCHEMBL5395845 0.97 MMP1 (0.35) MMP1MMP2POLBPKMMMP9
SCHEMBL5322497 0.90 SLC6A2 (0.36) POLBHSD17B10ALDH1A1KMT2AL3MBTL1
SCHEMBL5318347 0.90 ALDH1A1 (0.35) OPRM1OPRD1ALDH1A1SLC6A2SLC6A4
SCHEMBL5324832 0.87 HPGD (0.34) MMP1MMP2MMP8ALDH1A1KMT2A
SCHEMBL5316662 0.87 MTNR1B (0.37) MC4ROPRM1SLC6A2SLC6A4
SCHEMBL5319325 0.84 CCR1 (0.34) MMP1MMP2MMP3MMP8
SCHEMBL5464768 0.83 SCN7A (0.33) MAPK1SMN1; SMN2
SCHEMBL5319634 0.83 MMP2 (0.43) MMP1MMP2MMP9MMP3MMP8
SCHEMBL5316333 0.82 ADAM17 (0.38) ALDH1A1CYP2D6MAPK1SLC6A2SLC6A4
SCHEMBL5419543 0.82 ALDH1A1 (0.35) PKMALDH1A1L3MBTL1SLC6A4SLC6A3

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