SCHEMBL6683286

SCHEMBL6683286

O=C(O)c1cccc2c3c([nH]c12)CCCCC3

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.97
ALOX15 P16050 2/20 0.74
MAPK1 P28482 2/20 0.74
HSD17B10 Q99714 2/20 0.74
CASP1 P29466 1/20 0.74
CASP7 P55210 1/20 0.74
MAPT P10636 6/20 0.54
PARP14 Q460N5 1/20 0.51
TP53 P04637 3/20 0.48
MEN1 O00255 1/20 0.48
IKBKB O14920 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK10 P53779 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP1 P09874 1/20 0.47
FABP4 P15090 3/20 0.47
PBRM1 Q86U86 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL30317424 0.98 GFER (1.00) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL3941869 0.98 GFER (1.00) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL4972251 0.95 GFER (0.94) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL14635033 0.88 GFER (0.81) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL4586298 0.85 GFER (0.76) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL150478 0.85 ALOX15 (1.00) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL30317358 0.84 GFER (0.74) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL6683973 0.83 GFER (0.68) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL6624747 0.81 GFER (0.70) GFERALOX15MAPK1HSD17B10CASP1
Hydrochloric Acid SCHEMBL6497903 0.78 GFER (0.66) GFERALOX15MAPK1HSD17B10CASP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO claimed
US-20140363522-A1 Compositions and Methods for Treating and/or Preventing Cancer by Inhibiting Fatty Acid Binding Proteins NIH - DEITR 2014-12-11 US disclosed
US-8748470-B2 Methods for treating ovarian cancer by inhibiting fatty acid binding proteins THE UNIVERSITY OF CHICAGO (US) 2014-06-10 US disclosed
US-20120289570-A1 COMPOSITIONS AND METHODS FOR TREATING AND/OR PREVENTING CANCER BY INHIBITING FATTY ACID BINDING PROTEINS NIH 2012-11-15 US disclosed
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed