SCHEMBL1712796

SCHEMBL1712796

Cc1cccc(C(O)C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 2/20 0.42
HSD17B2 P37059 1/20 0.40
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
EPHX1 P07099 1/20 0.39
PARP1 P09874 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FBP1 P09467 1/20 0.37
AOC3 Q16853 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
LMNA P02545 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL13585083 0.80 TYR (0.48) TP53TDP1PTGS1HDAC8
SCHEMBL6752527 0.80 TP53 (0.55) ACP3TP53TDP1ACHEHSD17B2
SCHEMBL2558034 0.79 ACHE (0.46) ACP3TP53TDP1ACHEHSD17B2
SCHEMBL9729373 0.79 ACHE (0.46) ACP3TP53TDP1ACHEHSD17B2
SCHEMBL13628507 0.78 ADRB1 (0.48) LMNAHSD17B10
SCHEMBL8718778 0.78 ACP3 (0.44) ACP3TP53TDP1ACHEHSD17B2
SCHEMBL31490296 0.78 ACP3 (0.44) ACP3TP53TDP1ACHEHSD17B2
SCHEMBL9870224 0.78 ACP3 (0.44) ACP3TP53TDP1ACHEHSD17B2
SCHEMBL6035448 0.76 ACHE (0.52) ACP3TP53TDP1ACHEHSD17B2
SCHEMBL822105 0.76 ACHE (0.52) ACP3TP53TDP1ACHEEPHX1

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-2344460-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Galapagos N.V. (BE) 2011-07-20 EP disclosed
WO-2010029119-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS GALAPAGOS NV (BE) 2010-03-18 WO disclosed