SCHEMBL7635359

SCHEMBL7635359

CCOc1ccc(C(=O)CC(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
CES1 P23141 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
RAB9A P51151 6/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PLK1 P53350 1/20 0.59
GAA P10253 1/20 0.58
PARP10 Q53GL7 1/20 0.58
MAOA P21397 1/20 0.56

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
SCHEMBL7627400 0.93 NPC1 (0.72) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL9817316 0.88 NPC1 (0.63) NPC1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7629094 0.86 MMP1 (0.61) NPC1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7629413 0.86 L3MBTL1 (0.66) NPC1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7631521 0.86 NPC1 (0.64) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL21128712 0.86 NPC1 (0.67) NPC1MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL29446640 0.86 MAPT (0.69) NPC1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL460957 0.85 CES2 (0.63) NPC1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL845256 0.85 L3MBTL1 (0.77) NPC1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL28912681 0.84 PLK1 (0.72) NPC1MAPTSMN1; SMN2KMT2AMEN1

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
US-6448304-B1 POLYURETHANE, POLYTHIOURETHANE OR DIETHYLENE GLYCOL BISALLYLCARBONATE POLYMER; DIPPING IN SOLUTION CONTAINING A DIBENZOYLMETHANE OR A BENZOTRIZOLE COMPOUND; PLASTIC LENS FOR SPECTACLES WHICH ABSORBS ULTRAVIOLET RAYS; LOW YELLOWNESS HOYA CORPORATION (JP) 2002-09-10 US disclosed