SCHEMBL4447091

SCHEMBL4447091

COc1ccc(C(CO)c2ccc(OC)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
BCHE P06276 1/20 0.44
TYR P14679 1/20 0.44
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 6/20 0.40
AKR1C2 P52895 6/20 0.40
PTGS1 P23219 3/20 0.40
AKR1C1 Q04828 1/20 0.40
PTGS2 P35354 3/20 0.40
TSHR P16473 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CYP2C9 P11712 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL11675022 0.87 BCHE (0.54) ABCB11BCHETYRACHEHTT
SCHEMBL7128925 0.80 ABCB11 (0.52) ABCB11L3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL11356828 0.80 HTT (0.41) BCHETYRACHEHTTCYP1A2
SCHEMBL4661046 0.78 TYR (0.56) ABCB11BCHETYRACHESMN1; SMN2
SCHEMBL11348098 0.76 HTT (0.41) BCHETYRACHEHTTCYP1A2
SCHEMBL11407371 0.76 HTT (0.41) BCHETYRACHEHTTCYP1A2
SCHEMBL3941057 0.76 ABCB11 (0.49) ABCB11L3MBTL1SMN1; SMN2TSHRCYP1A2
SCHEMBL15617596 0.75 ACP3 (0.58) ABCB11HTTL3MBTL1CYP1A2CYP2C9
SCHEMBL9711999 0.73 ABCB11 (0.52) ABCB11L3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL19984896 0.73 TDP1 (0.51) ABCB11L3MBTL1TSHRCYP2C9GPR88

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