SCHEMBL8734945

SCHEMBL8734945

CC1=CC(O)(C=O)C=C(C)C1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2B P41595 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
GAA P10253 5/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
CACNA1B Q00975 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GFER P55789 1/20 0.33
CHRNA7 P36544 1/20 0.33
KDM1A O60341 4/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32

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
SCHEMBL8735355 0.79 MAPT (0.34) MAPTMAPK1LMNATP53CYP1A2
SCHEMBL3679608 0.72 MAOA (0.43) MAPTMAPK1LMNATP53CYP1A2
SCHEMBL9224978 0.71 KDM1A (0.47) MAPTMAPK1LMNATP53CYP1A2
SCHEMBL27659701 0.69 ALDH1A1 (0.33) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL1432099 0.67 MAPT (0.33) MAPTMAPK1LMNATP53CYP1A2
SCHEMBL3223717 0.62 CYP1A2 (0.42) MAPTMAPK1LMNATP53CYP1A2
SCHEMBL9250732 0.62 CYP1A2 (0.42) MAPTMAPK1LMNATP53CYP1A2
SCHEMBL7410687 0.60 CACNA1B (0.61) MAPTMAPK1ADORA3GAAALDH1A1
SCHEMBL9281441 0.60 MAPT (0.46) MAPTMAPK1LMNATP53CYP1A2
SCHEMBL7817490 0.59 ALDH1A1 (0.61) MAPTMAPK1LMNAADORA3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877607-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-11-18 EP disclosed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO disclosed