SCHEMBL5420722

SCHEMBL5420722

CCOc1ccc(C2C(=O)c3ccc(OC)cc3C3CCC(C)(C)CC32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.46
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B1 P14061 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HTT P42858 3/20 0.35
OPRM1 P35372 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP27A1 Q02318 1/20 0.34
CYP24A1 Q07973 1/20 0.34
ESR1 P03372 2/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL318002 0.92 ESR2 (0.45) ESR2MAPTSMN1; SMN2LMNAHSD17B1
SCHEMBL10109098 0.92 ESR2 (0.45) ESR2MAPTSMN1; SMN2LMNAHSD17B1
SCHEMBL318352 0.83 ESR2 (0.45) ESR2MAPTSMN1; SMN2LMNAHSD17B1
SCHEMBL10109045 0.83 ESR2 (0.45) ESR2MAPTSMN1; SMN2LMNAHSD17B1
SCHEMBL10108815 0.75 ESR2 (0.49) ESR2MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL317798 0.75 ESR2 (0.49) ESR2MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL10108855 0.75 ESR2 (0.49) ESR2MAPTSMN1; SMN2LMNAHSD17B1
SCHEMBL319627 0.75 ESR2 (0.49) ESR2MAPTSMN1; SMN2LMNAHSD17B1
SCHEMBL10109092 0.69 LMNA (0.43) MAPTSMN1; SMN2LMNAHSD17B1RECQL
SCHEMBL318041 0.69 LMNA (0.43) MAPTSMN1; SMN2LMNAHSD17B1RECQL

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-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 WO disclosed