SCHEMBL6687922

SCHEMBL6687922

COC(=O)c1ccc2c3c(n(Cc4ccccc4)c2c1)CCCC3

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.77
HDAC6 Q9UBN7 4/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC10 Q969S8 2/20 0.59
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
FABP3 P05413 1/20 0.51
S1PR3 Q99500 1/20 0.49
CNR2 P34972 1/20 0.49
HTR6 P50406 1/20 0.49
SCARB1 Q8WTV0 1/20 0.48

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
SCHEMBL6688856 0.87 FABP4 (1.00) FABP4HDAC6HDAC1HDAC10CA1
SCHEMBL28039679 0.80 HDAC6 (0.56) HDAC6HDAC1HDAC10S1PR3CNR2
Acetic Acid SCHEMBL9518648 0.78 CA1 (0.78) FABP4HDAC6HDAC1HDAC10CA1
SCHEMBL6689633 0.78 FABP4 (0.82) FABP4HDAC6HDAC1HDAC10CA1
SCHEMBL6689432 0.77 FABP4 (0.80) FABP4HDAC6HDAC1HDAC10CA1
SCHEMBL6686562 0.77 FABP4 (0.76) FABP4FABP3
SCHEMBL6691562 0.77 FABP4 (0.79) FABP4HDAC6HDAC1HDAC10CA1
SCHEMBL6685978 0.76 FABP4 (0.77) FABP4FABP3
SCHEMBL6684662 0.76 FABP4 (0.78) FABP4HDAC6HDAC1HDAC10CA1
SCHEMBL6688676 0.76 FABP4 (0.77) FABP4HDAC6HDAC1HDAC10CA1

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