SCHEMBL4758273

SCHEMBL4758273

CCN1C(C)=C(C(=O)O)C(CC)(c2ccc(Br)cc2)C(C(=O)O)=C1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
FPR2 P25090 5/20 0.34
GAA P10253 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AKR1B1 P15121 1/20 0.33
PKM P14618 1/20 0.31

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
SCHEMBL4758299 0.87 LMNA (0.42) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL4758044 0.75 CNR1 (0.41) CNR1ALDH1A1KMT2AMEN1GAA
SCHEMBL4755336 0.74 LMNA (0.42) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL31412247 0.65 ELANE (0.41) ALDH1A1KMT2AMEN1FPR2GAA
SCHEMBL4935850 0.63 NPC1 (0.37) CNR1ALDH1A1KMT2AMEN1GAA
SCHEMBL31195695 0.63 ELANE (0.40) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL4755352 0.63 GAA (0.34) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL11495931 0.61 CNR1 (0.46) CNR1ALDH1A1KMT2AMEN1FPR2
Propionic Acid SCHEMBL27718906 0.60 FFAR3 (0.56) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL4756125 0.59 L3MBTL1 (0.34) ALDH1A1KMT2AMEN1MAPTLMNA

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