SCHEMBL4566341

SCHEMBL4566341

O=C(O)c1cccc(C(O)C2CCCCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.50
KMO O15229 2/20 0.46
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL31618596 0.82 SLC6A3 (0.56) SLC6A3EPHX1MEN1KMT2AHPGD
SCHEMBL3939878 0.77 ANPEP (0.50) KMOANPEPENPEPSMN1; SMN2EPHX1
SCHEMBL31401130 0.77 ANPEP (0.50) KMOANPEPENPEPSMN1; SMN2EPHX1
SCHEMBL11348436 0.77 SLC6A3 (0.50) SLC6A3SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL29369652 0.74 SLC6A3 (0.67) SLC6A3SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10562369 0.72 USP5 (0.48) SLC6A3SMN1; SMN2KMT2A
SCHEMBL28779591 0.72 SLC6A3 (0.52) SLC6A3SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15563963 0.71 ANPEP (0.44) KMOANPEPENPEPEPHX1MEN1
SCHEMBL15846301 0.71 SLC6A3 (0.70) SLC6A3MEN1KMT2AHPGD
SCHEMBL4566340 0.71 KMO (0.50) KMOMEN1KMT2AAPEX1CA1

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-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed