SCHEMBL4449667

SCHEMBL4449667

COc1ccc(C(C=O)c2cc(C)cc(OC)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP2A6 P11509 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
RELA Q04206 2/20 0.37
ESR1 P03372 2/20 0.36
NQO2 P16083 2/20 0.36
ABL1 P00519 1/20 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
SCHEMBL3949877 0.90 NQO2 (0.44) ACHEALDH1A1CYP2A6L3MBTL1MAPK1
SCHEMBL26999431 0.84 ACHE (0.58) ACHEALDH1A1CYP2A6L3MBTL1MAPK1
SCHEMBL4775938 0.84 ALDH1A1 (0.52) ACHEALDH1A1CYP2A6L3MBTL1MAPK1
SCHEMBL3945179 0.79 ALDH1A3 (0.46) ALDH1A1L3MBTL1MAPK1TDP1CYP3A4
SCHEMBL1515694 0.78 ACP3 (0.56) ALDH1A1CYP2A6L3MBTL1MAPTNPC1
SCHEMBL1420183 0.76 LTA4H (0.53) ALDH1A1CYP2A6MAPTRAB9AKDM4E
SCHEMBL8057378 0.76 MAPT (0.50) ALDH1A1CYP2A6L3MBTL1MAPK1TDP1
SCHEMBL7456881 0.76 HPGD (0.50) ALDH1A1CYP2A6L3MBTL1MAPK1TDP1
SCHEMBL9992962 0.76 APP (0.44) ACHEALDH1A1CYP2A6L3MBTL1MAPK1
SCHEMBL1694896 0.76 TDP1 (0.59) ACHEALDH1A1CYP2A6L3MBTL1MAPK1

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