SCHEMBL10439697

SCHEMBL10439697

CC(C)(C)OC(=O)c1cc2cccc(C(=O)c3cccs3)c2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
MAPT P10636 4/20 0.47
ALOX15 P16050 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 3/20 0.39
PSMD14 O00487 1/20 0.39
MMP2 P08253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 4/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 3/20 0.37

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
SCHEMBL10439676 0.82 RAB9A (0.53) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL17710702 0.80 LMNA (0.45) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL2203682 0.72 CES2 (0.52) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL11530620 0.70 MAPT (0.44) NPC1RAB9AMAPTALOX15SMN1; SMN2
SCHEMBL29926214 0.69 MAPT (0.60) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL29441487 0.67 AR (0.41) MAPTALOX15SMN1; SMN2LMNAALOX5
SCHEMBL11930062 0.66 ALOX15 (0.64) NPC1RAB9AMAPTALOX15SMN1; SMN2
SCHEMBL11534252 0.66 NPC1 (0.48) NPC1RAB9AMAPTALOX15SMN1; SMN2
SCHEMBL10439698 0.66 ALOX15 (0.48) NPC1RAB9AMAPTALOX15SMN1; SMN2
SCHEMBL5989988 0.65 LMNA (0.48) NPC1RAB9AMAPTALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP disclosed