SCHEMBL7101117

SCHEMBL7101117

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48
TUBB8 Q3ZCM7 3/20 0.48
TUBA3E Q6PEY2 3/20 0.48
TUBA1A Q71U36 3/20 0.48
TUBA1C Q9BQE3 3/20 0.48
TUBB6 Q9BUF5 3/20 0.48
TUBB2B Q9BVA1 3/20 0.48
TUBB1 Q9H4B7 3/20 0.48
HSP90AA1 P07900 1/20 0.47
ITGA4 P13612 1/20 0.46
NAPEPLD Q6IQ20 1/20 0.46
PAX8 Q06710 1/20 0.45

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
SCHEMBL10170739 0.87 HSP90AA1 (0.57) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7096339 0.80 L3MBTL1 (0.57) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8640626 0.80 HSP90AA1 (0.50) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8158106 0.77 TUBB4A (0.72) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7100621 0.77 L3MBTL1 (0.46) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16346487 0.74 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1026075 0.74 HSD17B1 (0.68) ESR1APPNPC1TP53MAPK1
SCHEMBL6976023 0.73 TUBB4A (0.56) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL7097572 0.73 ESR1 (0.64) ITGA4NAPEPLDESR1ESR2
SCHEMBL8643567 0.73 TUBB4A (0.58) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B

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