SCHEMBL14959581

SCHEMBL14959581

Fc1ccc(Oc2ccc(I)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.50
PNLIP P16233 1/20 0.43
APP P05067 1/20 0.42
AR P10275 1/20 0.41
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MAP2K1 Q02750 2/20 0.39
SCN9A Q15858 1/20 0.39
SCN4A P35499 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL4372913 0.89 HSPB1 (0.58) HSPB1PNLIPAPPARSLC6A4
SCHEMBL10664102 0.85 TAAR5 (0.49) HSPB1PNLIPAPP
SCHEMBL15596855 0.85 CYP1A2 (0.47) HSPB1PNLIPAPPSLC6A4SCN9A
SCHEMBL15596867 0.85 MAP2K1 (0.48) HSPB1SLC6A4MAP2K1LMNAL3MBTL1
SCHEMBL16023942 0.81 CARM1 (0.44) HSPB1APPSLC6A4SLC6A2SLC6A3
SCHEMBL15596849 0.81 AR (0.44) HSPB1ARSLC6A4MAP2K1SCN9A
SCHEMBL14965305 0.78 CYP1A2 (0.47) HSPB1SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL16023941 0.78 SLC6A4 (0.41) HSPB1APPSLC6A4SLC6A2SLC6A3
SCHEMBL13860118 0.77 HSPB1 (0.42) HSPB1APPARSLC6A4SLC6A2
SCHEMBL3024118 0.77 HSPB1 (0.50) HSPB1PNLIPARSLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014028334-A1 SELECTIVE MMP INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2014-02-20 WO disclosed
EP-1511488-B1 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION INC (US) 2013-05-22 EP disclosed