SCHEMBL5318347

SCHEMBL5318347

COc1cccc([C@]2(C)CNCCN2C(=O)[C@@H](CC(C)C)[C@H](O)C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
SOAT1 P35610 2/20 0.34
ADRB1 P08588 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.33
BACE1 P56817 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL5325380 0.90 ANPEP (0.40) SOAT1
SCHEMBL5317625 0.90 MMP1 (0.34) ALDH1A1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL5368861 0.89 CETP (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL5316333 0.88 ADAM17 (0.38) ALDH1A1KDM4EOPRK1ADRB1SLC6A2
SCHEMBL5395845 0.87 MMP1 (0.35) ALDH1A1KDM4EOPRM1OPRD1
SCHEMBL5316662 0.86 MTNR1B (0.37) OPRM1OPRK1SLC6A2SLC6A4BACE1
SCHEMBL5322497 0.82 SLC6A2 (0.36) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL5318795 0.81 MMP2 (0.38)
SCHEMBL5419543 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ESLC6A4SLC6A3
SCHEMBL5373840 0.80 MMP2 (0.37)

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