SCHEMBL6685671

SCHEMBL6685671

COC(=O)c1cccc2c3c(n(Cc4cccc([N+](=O)[O-])c4)c12)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 17/20 0.61
FABP3 P05413 3/20 0.58
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 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
SCHEMBL6688311 0.89 FABP4 (0.74) FABP4FABP3
SCHEMBL6686562 0.87 FABP4 (0.76) FABP4FABP3
SCHEMBL6685978 0.86 FABP4 (0.77) FABP4FABP3
SCHEMBL6686981 0.85 FABP4 (0.83) FABP4FABP3
SCHEMBL6689234 0.85 FABP3 (0.77) FABP4FABP3
SCHEMBL6684193 0.84 FABP4 (0.81) FABP4FABP3
SCHEMBL6691864 0.83 FABP4 (0.79) FABP4FABP3
SCHEMBL6682695 0.83 FABP4 (0.61) FABP4FABP3
SCHEMBL6689896 0.83 FABP4 (0.78) FABP4FABP3
SCHEMBL6687601 0.82 FABP4 (0.60) FABP4FABP3

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