SCHEMBL8897322

SCHEMBL8897322

CC(C)CCC(NC(=O)NC(C)(C)C)[C@H](O)C(Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MMP2 P08253 3/20 0.37
MMP3 P08254 2/20 0.37
BCHE P06276 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8897311 1.00 REN (0.38) RENNPC1MAPTRAB9AMMP2
SCHEMBL7358203 0.92 CTSD (0.39) RENMMP2MMP3
SCHEMBL7358269 0.89 CYP3A4 (0.39) RENALDH1A1
SCHEMBL9240630 0.86 NPC1 (0.37) RENNPC1MAPTRAB9AMMP2
SCHEMBL7395360 0.86 NPC1 (0.37) RENNPC1MAPTRAB9AMMP2
SCHEMBL7357186 0.86 NPC1 (0.37) RENNPC1MAPTRAB9AMMP2
SCHEMBL7424741 0.83 HTT (0.46) RENBCHE
SCHEMBL7424747 0.83 HTT (0.46) RENBCHE
SCHEMBL7353667 0.82 MEN1 (0.41) RENMAPTALDH1A1
SCHEMBL8899924 0.81 BACE1 (0.36) RENNPC1MAPTRAB9AMMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614522-A SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS G.D. SEARLE & CO. (US) 1997-03-25 US disclosed