SCHEMBL7426438

SCHEMBL7426438

CC(C)CC(C(=O)O)N(CCc1nc(-c2cc(Cl)cc(Cl)c2)cs1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRN P28799 2/20 0.34
SORT1 Q99523 2/20 0.34
MAPK1 P28482 1/20 0.33
PPARD Q03181 1/20 0.33
HPSE Q9Y251 1/20 0.33
ECE1 P42892 1/20 0.32
NR4A2 P43354 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL7424802 0.88 ALDH1A1 (0.36) L3MBTL1RAB9ANPC1MAPK1ECE1
SCHEMBL7426234 0.86 LOXL2 (0.47) L3MBTL1RAB9ANPC1MAPK1NR4A2
SCHEMBL7425594 0.85 LOXL2 (0.46) L3MBTL1RAB9AMAPK1HDAC3HDAC4
SCHEMBL7417819 0.84 HDAC1 (0.34) TDP1GRNSORT1HDAC1HDAC6
SCHEMBL7422281 0.81 SHMT1 (0.39) L3MBTL1GRNSORT1MAPTLMNA
SCHEMBL7425006 0.80 NR4A2 (0.36) GRNSORT1NR4A2
SCHEMBL7424356 0.79 HDAC1 (0.36) L3MBTL1RAB9AGRNSORT1HDAC1
SCHEMBL7419478 0.78 MMP2 (0.42) GRNSORT1CNR2ALDH1A1LMNA
SCHEMBL7423853 0.76 PPARA (0.35) GRNSORT1NR4A2
SCHEMBL7422595 0.75 RXRA (0.40) GRNSORT1MAPK1

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed