SCHEMBL22069693

SCHEMBL22069693

CC(C)c1ccc(Oc2ccc(NC(=O)CCl)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 0.51
PNLIP P16233 9/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FFAR1 O14842 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
RNF4 P78317 1/20 0.50
PARG Q86W56 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
STK39 Q9UEW8 1/20 0.47
GSTO1 P78417 1/20 0.47
RORC P51449 1/20 0.47

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
SCHEMBL22114358 0.89 RNF4 (0.49) PNLIPFNTAFNTBRNF4PARG
SCHEMBL22069722 0.88 MEN1 (0.51) ESRRAPNLIPMAPTNPSR1FFAR1
SCHEMBL22069558 0.88 FFAR1 (0.50) PNLIPFFAR1FNTAFNTBRNF4
SCHEMBL22069619 0.87 PNLIP (0.64) PNLIPMAPTNPSR1MEN1KMT2A
SCHEMBL31536382 0.87 PNLIP (0.64) PNLIPMAPTNPSR1MEN1KMT2A
SCHEMBL11205308 0.85 PNLIP (0.52) ESRRAPNLIPMAPTNPSR1FFAR1
SCHEMBL22069753 0.85 PNLIP (0.54) ESRRAPNLIPMAPTNPSR1RNF4
SCHEMBL11135545 0.82 MEN1 (0.51) ESRRAPNLIPMAPTNPSR1FFAR1
SCHEMBL5324688 0.79 SMN1; SMN2 (0.65) MAPTNPSR1RNF4MEN1KMT2A
SCHEMBL22069748 0.79 MITF (0.58) PNLIPFNTAFNTBRNF4PARG

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