SCHEMBL22069737

SCHEMBL22069737

COc1cc(OC)cc(Oc2ccc(NC(=O)CCl)cc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.53
MET P08581 2/20 0.47
RAF1 P04049 1/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
RNF4 P78317 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GSTO1 P78417 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL20679600 0.86 SMN1; SMN2 (0.53) FFAR1MAPTKMT2AMEN1KDM4E
SCHEMBL29965698 0.86 SMN1; SMN2 (0.53) FFAR1MAPTKMT2AMEN1KDM4E
SCHEMBL22069658 0.86 FFAR1 (0.55) FFAR1METRAF1MAPTKMT2A
SCHEMBL22069703 0.86 MET (0.48) FFAR1METPOLBHTTKDM4E
SCHEMBL22069580 0.83 PNLIP (0.54) FFAR1METMAPTPOLBHTT
SCHEMBL22069579 0.82 ALDH1A1 (0.49) FFAR1METMAPTKMT2APOLB
SCHEMBL22069696 0.82 RNF4 (0.51) FFAR1METRAF1MAPTKMT2A
SCHEMBL22069558 0.81 FFAR1 (0.50) FFAR1METKMT2APOLBMEN1
SCHEMBL22069652 0.81 MET (0.49) FFAR1METPOLBHTTMITF
SCHEMBL22069644 0.81 ALDH1A1 (0.47) FFAR1METMAPTKMT2APOLB

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
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed