SCHEMBL4555836

SCHEMBL4555836

COC(=O)c1ccc([AsH2])c(C(C(=O)O)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.41

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
SCHEMBL4672838 0.77 CA1 (0.57) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4433135 0.76 VCAM1 (0.53) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL4446049 0.76 VCAM1 (0.53) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL15441153 0.72 TSHR (0.57) KDM4EALDH1A1MAPTGAACA1
SCHEMBL13220716 0.70 CA1 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7582479 0.69 CA1 (0.52) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL18892782 0.68 CA1 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL10368169 0.68 CA12 (0.65) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL16159970 0.68 CA1 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL28377004 0.68 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10

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-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed