SCHEMBL2014631

SCHEMBL2014631

C=C(C[C@H](OS(=O)(=O)c1ccc(C)cc1)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.38
PPARG P37231 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PPARA Q07869 2/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2014629 1.00 STAT3 (0.38) STAT3PPARGMEN1KMT2ASLC1A3
SCHEMBL9306403 0.85 KDM4E (0.44) STAT3PPARGKMT2ASLC1A3SLC1A2
SCHEMBL3064836 0.81 SMN1; SMN2 (0.43) STAT3PPARGKMT2ASLC1A3SLC1A2
SCHEMBL7265141 0.81 SMN1; SMN2 (0.43) STAT3PPARGKMT2ASLC1A3SLC1A2
SCHEMBL1990107 0.81 SMN1; SMN2 (0.43) STAT3PPARGKMT2ASLC1A3SLC1A2
SCHEMBL10572149 0.78 CA12 (0.44) STAT3PPARGKMT2ASLC1A3SLC1A2
SCHEMBL10808505 0.78 CA2 (0.40) STAT3PPARGMEN1KMT2ASLC1A3
SCHEMBL2325751 0.78 CA12 (0.44) STAT3PPARGKMT2ASLC1A3SLC1A2
SCHEMBL12622492 0.77 KMT2A (0.37) STAT3MEN1KMT2AALDH1A1RECQL
SCHEMBL11542141 0.77 SLC1A3 (0.42) STAT3PPARGMEN1KMT2ASLC1A3

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
EP-2338892-A1 Prostate specific membrane antigen inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2011-06-29 EP disclosed