SCHEMBL7096339

SCHEMBL7096339

COc1ccc(-c2sc3cc(OC)ccc3c2-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
MAOB P27338 2/20 0.53
ITGA4 P13612 1/20 0.53
NAPEPLD Q6IQ20 1/20 0.53
F9 P00740 3/20 0.49
F10 P00742 3/20 0.49
HCRTR1 O43613 1/20 0.48
PAX8 Q06710 1/20 0.47
ERN1 O75460 1/20 0.45
DYRK1B Q9Y463 2/20 0.44
BCHE P06276 2/20 0.44
DYRK1A Q13627 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42

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
SCHEMBL6812427 0.82 CYP3A4 (0.48) MAOBF9F10BCHEALDH1A1
SCHEMBL6807206 0.82 MAOB (0.48) MAOBF9F10BCHEALDH1A1
SCHEMBL7105405 0.80 MAOB (0.50) L3MBTL1MAOBITGA4NAPEPLDF9
SCHEMBL7101117 0.80 L3MBTL1 (0.50) L3MBTL1ITGA4NAPEPLDHCRTR1PAX8
SCHEMBL8377008 0.80 TUBB4A (0.61) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6812016 0.80 MAOB (0.48) L3MBTL1MAOBF9F10BCHE
SCHEMBL7744153 0.80 MAOB (0.48) L3MBTL1MAOBF9F10BCHE
SCHEMBL9405631 0.78 MAOB (0.71) MAOBF9F10ERN1BCHE
Hydrochloric Acid SCHEMBL7097572 0.78 ESR1 (0.64) ITGA4NAPEPLD
SCHEMBL7100621 0.77 L3MBTL1 (0.46) L3MBTL1ITGA4NAPEPLDHCRTR1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838461-B1 Substituted 2,3-aryl-benzothiophene compounds having estrogenic activity LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6121293-A SUCH AS 2-(4-METHOXYPHENYL)-3-(3-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)-6 -METHOXYBENZO(B)THIOPHENE HYDROCHLORIDE; FOR TREATING OSTEOPOROSIS, HYPERLIPIDEMIA, AND ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
US-5843940-A Benzothiophene compounds, compositions, and method ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
EP-0838461-A2 Substituted 2,3-aryl-benzothiophene compounds having estrogenic activity ELI LILLY AND COMPANY (US) 1998-04-29 EP disclosed