SCHEMBL4566340

SCHEMBL4566340

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.50
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPY2R P49146 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
SCHEMBL169922 0.87 MCL1 (0.49) HPGDPOLBALDH1A1CYP2C19HTT
SCHEMBL27351823 0.82 HPGD (0.51) HPGDPOLBALDH1A1CYP2C19HTT
SCHEMBL29723381 0.80 HPGD (0.56) HPGDPOLBALDH1A1CYP2C19L3MBTL3
SCHEMBL21132553 0.80 HPGD (0.56) HPGDPOLBALDH1A1CYP2C19L3MBTL3
SCHEMBL26144962 0.78 SRD5A2 (0.59) KMOHPGDALDH1A1L3MBTL3APEX1
SCHEMBL4322056 0.76 KDM4E (0.47) HPGDPOLBALDH1A1HTTKDM4E
SCHEMBL7167323 0.76 MCL1 (0.46) HPGDPOLBALDH1A1CYP2C19HTT
SCHEMBL9389800 0.76 ALDH1A1 (0.54) HPGDPOLBALDH1A1CYP2C19MEN1
SCHEMBL26144964 0.75 SRD5A2 (0.54) KMOHPGDALDH1A1L3MBTL3APEX1
SCHEMBL31286068 0.74 KMO (0.51) KMOHPGDL3MBTL3CA12CA1

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