SCHEMBL6689633

SCHEMBL6689633

O=C(O)c1ccc2c3c(n(Cc4ccc(F)cc4)c2c1)CCCC3

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 9/20 0.82
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC10 Q969S8 1/20 0.54
FABP3 P05413 2/20 0.53
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6689432 0.99 FABP4 (0.80) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6688856 0.90 FABP4 (1.00) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6691562 0.89 FABP4 (0.79) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6684662 0.88 FABP4 (0.78) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6688676 0.87 FABP4 (0.77) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6683805 0.86 FABP4 (0.65) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6686673 0.86 FABP4 (0.65) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6689537 0.84 FABP4 (0.71) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6684199 0.83 FABP4 (0.73) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6685705 0.82 FABP4 (0.72) FABP4HDAC6HDAC1HDAC10FABP3

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