SCHEMBL5382483

SCHEMBL5382483

CC(C)C[C@H](C(=O)N1CCNC[C@@]1(C)c1ccc(-c2coc3ccccc23)cc1)[C@H](O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
HTR6 P50406 1/20 0.32
PTPN1 P18031 2/20 0.31
GSK3B P49841 2/20 0.31
GSK3A P49840 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL3865677 0.91 MMP2 (0.36) CTSLCTSBCTSS
SCHEMBL5395845 0.80 MMP1 (0.35) POLBCTSLCTSBCTSS
SCHEMBL5317625 0.79 MMP1 (0.34) POLB
SCHEMBL5324832 0.78 HPGD (0.34)
SCHEMBL5322497 0.78 SLC6A2 (0.36) POLB
SCHEMBL5384481 0.77 TAS1R3 (0.34)
SCHEMBL5316333 0.76 ADAM17 (0.38) HTR6CTSLCTSB
SCHEMBL5319325 0.75 CCR1 (0.34)
SCHEMBL5419543 0.75 ALDH1A1 (0.35)
SCHEMBL5318581 0.75 SLC6A2 (0.31)

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 4 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 claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO claimed
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