SCHEMBL7561322

SCHEMBL7561322

CCC(CC)(Oc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.50
PPARD Q03181 2/20 0.50
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP2 P08253 2/20 0.45
MGLL Q99685 2/20 0.44
RAB9A P51151 2/20 0.44
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
IL18 Q14116 1/20 0.41
MMP3 P08254 1/20 0.40

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
SCHEMBL23754112 0.79 PPARG (0.45) PPARAPPARDMAPTKDM4EMEN1
SCHEMBL4700424 0.78 PPARA (0.64) PPARAPPARDMAPTALDH1A1KDM4E
SCHEMBL11763480 0.78 PPARG (0.44) PPARAPPARDMAPTKDM4EMEN1
SCHEMBL2554944 0.77 MAPT (0.50) PPARAMAPTALDH1A1RAB9ALMNA
SCHEMBL11540230 0.75 ALDH1A1 (0.44) PPARAMAPTALDH1A1PARP10LMNA
SCHEMBL21698056 0.75 ALDH1A1 (0.48) PPARAPPARDMAPTALDH1A1MMP2
SCHEMBL20594081 0.75 MMP2 (0.45) PPARAPPARDMAPTALDH1A1MMP2
SCHEMBL22349709 0.74 CYP2A6 (0.45) PPARAPPARDMAPTALDH1A1MGLL
SCHEMBL4692295 0.72 PPARA (0.66) PPARAPPARDMAPTALDH1A1MGLL
SCHEMBL11067259 0.72 OPRK1 (0.59) PPARAPPARDMAPTALDH1A1KDM4E

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
EP-0937063-B1 ARYLOXYPROPANOLAMINE DERIVATIVES, METHOD OF PREPARATION AND APPLICATIONS THEREOF VIRBAC SA (FR) 2002-04-10 EP disclosed
EP-0937063-A1 ARYLOXYPROPANOLAMINE DERIVATIVES, METHOD OF PREPARATION AND APPLICATIONS THEREOF VIRBAC S.A. (FR) 1999-08-25 EP disclosed
WO-1998020005-A1 ARYLOXYPROPANOLAMINE DERIVATIVES, METHOD OF PREPARATION AND APPLICATIONS THEREOF VIRBAC S.A. (FR) 1998-05-14 WO disclosed