SCHEMBL8077009

SCHEMBL8077009

O=C1c2ccccc2CC1O.O[C@@H]1Cc2ccccc2[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.45
METAP1 P53582 4/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8077011 1.00 ACHE (0.45) ACHEMETAP1KDM4EMEN1MAPT
SCHEMBL7998826 0.85 ACHE (0.59) ACHEMETAP1KDM4EMEN1MAPT
SCHEMBL1093558 0.85 ACHE (0.59) ACHEMETAP1KDM4EMEN1MAPT
SCHEMBL32679178 0.85 ACHE (0.59) ACHEMETAP1KDM4EMEN1MAPT
SCHEMBL32679177 0.85 ACHE (0.59) ACHEMETAP1KDM4EMEN1MAPT
SCHEMBL388171 0.85 ACHE (0.59) ACHEMETAP1KDM4EMEN1MAPT
SCHEMBL30737574 0.85 ACHE (0.59) ACHEMETAP1KDM4EMEN1MAPT
SCHEMBL5902891 0.81 ACHE (0.55) ACHEMETAP1KDM4EMEN1MAPT
SCHEMBL3867845 0.81 ANPEP (0.42)
SCHEMBL5271544 0.81 ANPEP (0.42)

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-6057479-A MULTISTAGE REACTION OF HYDROXY INDANONE WITH AMINE TO FORM IMINE, HEATING AND HYDROGENATION NIPPON STEEL CHEMICAL CO., LTD. (JP) 2000-05-02 US disclosed