SCHEMBL4439013

SCHEMBL4439013

COC(=O)c1cc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIRT6 Q8N6T7 1/20 0.38
VCAM1 P19320 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL4439015 1.00 PDGFRB (0.40) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4996468 0.84 ALDH1A1 (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL23577629 0.81 MEN1 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1560111 0.81 PDGFRB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL25935163 0.79 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL24338705 0.79 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2895340 0.78 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2247382 0.78 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4439143 0.77 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1560704 0.77 HTT (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3

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