SCHEMBL5033087

SCHEMBL5033087

Nc1cccc(C(=O)CC=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.52
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7112617 0.84 PBRM1 (0.50) PBRM1NPC1MITFLMNAPOLB
SCHEMBL9504891 0.83 PBRM1 (0.46) PBRM1NPC1MITFLMNAPOLB
SCHEMBL28359889 0.80 PBRM1 (0.59) PBRM1NPC1MITFLMNAPOLB
SCHEMBL9503703 0.80 PBRM1 (0.46) PBRM1NPC1MITFLMNAPOLB
SCHEMBL633209 0.79 PBRM1 (0.57) PBRM1NPC1MITFLMNAPOLB
SCHEMBL3373649 0.79 PBRM1 (0.57) PBRM1NPC1MITFLMNAPOLB
SCHEMBL30802269 0.78 MAPK1 (0.56) NPC1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL2554619 0.78 ERCC5 (0.57) POLBALDH1A1PARP1
SCHEMBL10005649 0.78 NR4A2 (0.62) PBRM1NPC1MITFLMNAPOLB
SCHEMBL8390944 0.78 PARP1 (0.53) NPC1LMNAPOLBALDH1A1KDM4E

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
US-20080214708-A1 Asymmetrically substituted phosphinic acids CLARIANT INTERNATIONAL LTD. 2008-09-04 US disclosed