SCHEMBL4755352

SCHEMBL4755352

CC1=C(C(=O)O)C(c2ccc(Br)cc2)(C(C)(C)C)C(C(=O)O)=C(C)N1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 3/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 3/20 0.32
RORC P51449 1/20 0.31
POLB P06746 1/20 0.31
MYC P01106 1/20 0.31
NR4A1 P22736 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL4814956 0.79 ALDH1A1 (0.32) KMT2AMYCNR4A1SMN1; SMN2ALDH1A1
SCHEMBL4755368 0.72 HCAR2 (0.36)
SCHEMBL4758273 0.63 CNR1 (0.39) GAAMAPTKDM4EMAPK1KMT2A
SCHEMBL28700728 0.59 LMNA (0.41) GAAMAPTKDM4EMAPK1KMT2A
SCHEMBL1933209 0.57 PDE2A (0.46) KMT2AMEN1NPC1RAB9ALMNA
Acetic Acid SCHEMBL27591821 0.57 CES2 (0.55) MAPTMAPK1KMT2AMEN1NPC1
SCHEMBL21855146 0.56 CA12 (0.43) LMNARORCPOLB
SCHEMBL3801424 0.55 MEN1 (0.43) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL15543215 0.55 OPRM1 (0.43) GAAMAPTKDM4EMAPK1ALDH1A1
Acetic Acid SCHEMBL27970985 0.55 OPRM1 (0.46) GAAMAPTKDM4EMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed