SCHEMBL30701889

SCHEMBL30701889

CC(=O)Oc1ccc(-c2ccccc2)c(C(C)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.59
NPC1 O15118 3/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 6/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.51
ELANE P08246 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL30701890 1.00 BACE1 (0.59) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL9723788 0.90 BACE1 (0.59) BACE1NPC1POLBKDM4ERAB9A
Hydrochloric Acid SCHEMBL9723743 0.89 BACE1 (0.58) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL9723737 0.88 BACE1 (0.56) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL8142093 0.86 KDM4E (0.61) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL10513975 0.85 BACE1 (0.54) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL3824865 0.83 BACE1 (0.63) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL31273249 0.82 BACE1 (0.61) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL3790333 0.81 BACE1 (0.59) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL9903140 0.81 BACE1 (0.59) BACE1NPC1POLBKDM4ERAB9A

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-115215734-B Preparation method of 1- [4- (4-hydroxyphenyl) phenyl ] -1, 1-bis (4-hydroxyphenyl) ethane 辽宁靖帆新材料有限公司 2024-01-05 CN disclosed