SCHEMBL4450552

SCHEMBL4450552

COc1ccc(C(C=O)c2ccc(OC)cc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP2A6 P11509 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
TYR P14679 2/20 0.37
ERN1 O75460 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
PTGS2 P35354 3/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36

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
SCHEMBL4775938 0.80 ALDH1A1 (0.52) ALDH1A1CYP2A6MAPK1TDP1KDM4E
SCHEMBL5202082 0.79 TYR (0.47) ALDH1A1HTTMAPK1KDM4ECYP3A4
SCHEMBL4731187 0.78 TYR (0.49) ALDH1A1MAPK1CYP3A4MAPTHPGD
SCHEMBL26999431 0.78 ACHE (0.58) ALDH1A1CYP2A6MAPK1TDP1KDM4E
SCHEMBL5188701 0.77 MAPT (0.44) ALDH1A1HTTMAPK1TDP1KDM4E
SCHEMBL3955351 0.77 MEN1 (0.51) ALDH1A1MAPK1TDP1KDM4ECYP3A4
SCHEMBL3949877 0.76 NQO2 (0.44) ALDH1A1CYP2A6MAPK1TDP1KDM4E
SCHEMBL4449667 0.74 ACHE (0.39) ALDH1A1CYP2A6MAPK1TDP1KDM4E
SCHEMBL1515694 0.74 ACP3 (0.56) ALDH1A1CYP2A6CYP3A4MAPTCYP1A2
SCHEMBL5207565 0.74 TYR (0.48) ALDH1A1HTTMAPK1CYP3A4MAPT

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-2074102-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-07-01 EP disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO disclosed