SCHEMBL10385403

SCHEMBL10385403

COCc1ccccc1C(=O)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 4/20 0.49
CTNNB1 P35222 2/20 0.49
WNT3A P56704 2/20 0.49
HPGDS O60760 1/20 0.47
HPGD P15428 3/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PSMD14 O00487 1/20 0.44
MMP2 P08253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL11490952 0.84 ALOX15 (0.62) ALOX15LMNATSHRCTNNB1WNT3A
SCHEMBL16245167 0.82 TSHR (0.46) ALOX15LMNATSHRHPGDGAA
SCHEMBL27341959 0.80 ALOX15 (0.60) ALOX15LMNATSHRCTNNB1WNT3A
SCHEMBL25305438 0.78 LMNA (0.63) ALOX15LMNATSHRCTNNB1WNT3A
SCHEMBL9148337 0.78 LMNA (0.85) ALOX15LMNATSHRCTNNB1WNT3A
SCHEMBL11489887 0.77 LMNA (0.57) ALOX15LMNATSHRCTNNB1WNT3A
SCHEMBL13721557 0.76 ALOX15 (0.65) ALOX15LMNATSHRCTNNB1WNT3A
SCHEMBL1558507 0.76 L3MBTL1 (0.51) ALOX15LMNAHPGDGAAMAPT
SCHEMBL256840 0.74 HPGD (0.50) LMNATSHRHPGDSHPGDMAPT
SCHEMBL256811 0.74 HPGD (0.50) LMNATSHRHPGDSHPGDGAA

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
US-4914127-A HYDROXYMETHYLGLUTARIC ACID-COENZYME A REDUCTASE INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
EP-0217092-A2 3-Dimethyl-mevalonic-acid derivatives, process for their preparation, pharmaceutical compositions based on these compounds, their use and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed