SCHEMBL5324832

SCHEMBL5324832

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.32
CTSK P43235 2/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
MDM2 Q00987 1/20 0.31
CCR1 P32246 1/20 0.30
KIF11 P52732 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
SCHEMBL5317625 0.87 MMP1 (0.34) ALDH1A1KMT2AMMP1MMP2MMP8
SCHEMBL5322497 0.85 SLC6A2 (0.36) HPGDALDH1A1KMT2A
SCHEMBL5395845 0.85 MMP1 (0.35) HPGDMEN1ALDH1A1KMT2ACTSK
SCHEMBL5464768 0.84 SCN7A (0.33)
SCHEMBL5319325 0.83 CCR1 (0.34) MCL1MMP1MMP2MMP8CCR1
SCHEMBL5316333 0.82 ADAM17 (0.38) ALDH1A1CTSKCCR1
SCHEMBL5368861 0.81 CETP (0.31)
SCHEMBL5345342 0.81 MMP2 (0.44) MMP1MMP2MMP8
SCHEMBL5419543 0.81 ALDH1A1 (0.35) ALDH1A1MCL1
SCHEMBL5384481 0.80 TAS1R3 (0.34)

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