SCHEMBL6686673

SCHEMBL6686673

O=C(O)c1ccc2c3c(n(Cc4ccc(F)cc4F)c2c1)CCCC3

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 10/20 0.65
FABP3 P05413 4/20 0.51
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC10 Q969S8 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6683805 0.91 FABP4 (0.65) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL6684199 0.88 FABP4 (0.73) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL6685705 0.87 FABP4 (0.72) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL6689633 0.86 FABP4 (0.82) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL6689432 0.85 FABP4 (0.80) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL6689301 0.84 FABP4 (0.67) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL6691562 0.83 FABP4 (0.79) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL6689537 0.82 FABP4 (0.71) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL6684662 0.82 FABP4 (0.78) FABP4FABP3HDAC1HDAC6HDAC10
SCHEMBL31554282 0.81 FABP4 (0.77) FABP4FABP3HDAC1HDAC6HDAC10

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