SCHEMBL321496

SCHEMBL321496

O=CCc1ccc(OC2CN(C(=O)O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.42
USP30 Q70CQ3 1/20 0.41
KCNH2 Q12809 4/20 0.38
MCHR1 Q99705 4/20 0.38
CHRNA7 P36544 1/20 0.38
ACACB O00763 2/20 0.38
RIPK1 Q13546 1/20 0.38
SCD O00767 1/20 0.38
EPHX2 P34913 1/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL321436 0.79 MCHR1 (0.57) USP30KCNH2MCHR1CHRNA7
SCHEMBL16422271 0.78 LIPG (0.50) FFAR4RIPK1EPHX2
SCHEMBL4186680 0.78 POLB (0.41) CHRNA7ACACBRIPK1SCDEPHX2
SCHEMBL17729479 0.78 EPHX2 (0.46) ACACBRIPK1SCDEPHX2
SCHEMBL17873485 0.77 ALDH1A1 (0.46) ACACB
SCHEMBL3414409 0.76 NAAA (0.58) USP30ACACBRIPK1SCDEPHX2
SCHEMBL14992804 0.74 EPHX2 (0.46) USP30RIPK1SCDEPHX2
SCHEMBL21825158 0.74 HRH3 (0.51) USP30EPHX2
SCHEMBL168835 0.72 MCHR1 (0.66) KCNH2MCHR1
SCHEMBL1394529 0.71 ACACB (0.38) KCNH2MCHR1CHRNA7ACACBSCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO disclosed