SCHEMBL1473904

SCHEMBL1473904

COc1c(C)c2c(c(NC(=O)C(F)(F)F)c1C/C=C(\C)CCC(=O)Oc1ccccc1C(F)(F)F)C(=O)OC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 18/20 0.55
IMPDH1 P20839 13/20 0.55
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
UGT2B7 P16662 1/20 0.50

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
SCHEMBL1473575 0.94 IMPDH2 (0.56) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473279 0.94 IMPDH2 (0.56) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1475023 0.93 IMPDH2 (0.56) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473234 0.92 IMPDH2 (0.57) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473807 0.92 IMPDH2 (0.55) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473172 0.92 IMPDH2 (0.55) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1153543 0.92 IMPDH2 (0.58) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473080 0.91 IMPDH2 (0.54) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473081 0.91 IMPDH2 (0.54) IMPDH2IMPDH1HDAC3HDAC4HDAC1
SCHEMBL1473851 0.91 IMPDH2 (0.56) IMPDH2IMPDH1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 WO disclosed