SCHEMBL29586231

SCHEMBL29586231

COc1ccc(CC(=O)c2cc(C)ccc2O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.64
SMN1; SMN2 Q16637 7/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
CYP3A4 P08684 1/20 0.63
ATM Q13315 1/20 0.63
KLF10 Q13118 1/20 0.60
TP53 P04637 2/20 0.55
USP2 O75604 1/20 0.55
L3MBTL1 Q9Y468 5/20 0.53
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL29585720 0.88 CSNK2A1 (0.56) HSP90AA1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6473953 0.87 SMN1; SMN2 (0.78) HSP90AA1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL38652442 0.82 NPC1 (0.76) HSP90AA1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3817844 0.82 NPC1 (0.76) HSP90AA1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11069363 0.81 CSNK2A1 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29586454 0.81 NPC1 (0.68) HSP90AA1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL150915 0.81 NPC1 (0.68) HSP90AA1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL224762 0.80 NPC1 (0.88) HSP90AA1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14363213 0.80 KLF10 (0.68) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5268587 0.79 SMN1; SMN2 (0.63) HSP90AA1SMN1; SMN2NPC1RAB9AMEN1

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
CN-111825645-B Naphtho-coumarin compound, preparation method and application of naphthocoumarin compound as photoluminescence material 陕西师范大学 2022-05-13 CN disclosed