SCHEMBL7075690

SCHEMBL7075690

CC(=O)Oc1ccc(C(=O)c2c(-c3ccc(OC(C)=O)cc3)sc3cc(OC(C)=O)ccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.60
TUBB P07437 2/20 0.60
TUBA3C P0DPH7 2/20 0.60
TUBA1B P68363 2/20 0.60
TUBA4A P68366 2/20 0.60
TUBB4B P68371 2/20 0.60
TUBB3 Q13509 2/20 0.60
TUBB2A Q13885 2/20 0.60
TUBB8 Q3ZCM7 2/20 0.60
TUBA3E Q6PEY2 2/20 0.60
TUBA1A Q71U36 2/20 0.60
TUBA1C Q9BQE3 2/20 0.60
TUBB6 Q9BUF5 2/20 0.60
TUBB2B Q9BVA1 2/20 0.60
TUBB1 Q9H4B7 2/20 0.60
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
ESR1 P03372 14/20 0.56
ESR2 Q92731 10/20 0.52
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7075680 0.95 CNR1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8625838 0.95 ESR1 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7075343 0.92 CNR1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22190469 0.92 CNR1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8628025 0.89 ESR1 (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11547223 0.89 ESR1 (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26625371 0.88 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26625282 0.88 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8630381 0.86 ESR1 (0.80) CNR1ESR1ESR2HSD17B10
SCHEMBL11553755 0.86 CNR1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920863-B1 The use of 2-Aryl-3-aroylbenzo(b)thiophenes for the treatment of estrogen deprivation syndrome LILLY CO ELI (US) 2003-07-09 EP claimed
US-6403615-B1 TREATS OSTEOPOROSIS, HYPERLIPIDEMIA, AND CARDIOVASCULAR DISORDERS ASSOCIATED WITH MENOPAUSE; SIDE EFFECT REDUCTION COMPARED TO ESTROGEN-REPLACEMENT THERAPY ELI LILLY AND COMPANY 2002-06-11 US claimed
US-6156786-A ANTIESTROGENS ELI LILLY AND COMPANY (US) 2000-12-05 US claimed
EP-0920863-A1 2-Aryl-3-aroylbenzo(b)thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP claimed
EP-0920863-B1 The use of 2-Aryl-3-aroylbenzo(b)thiophenes for the treatment of estrogen deprivation syndrome LILLY CO ELI (US) 2003-07-09 EP disclosed
US-6403615-B1 TREATS OSTEOPOROSIS, HYPERLIPIDEMIA, AND CARDIOVASCULAR DISORDERS ASSOCIATED WITH MENOPAUSE; SIDE EFFECT REDUCTION COMPARED TO ESTROGEN-REPLACEMENT THERAPY ELI LILLY AND COMPANY 2002-06-11 US disclosed
US-6156786-A ANTIESTROGENS ELI LILLY AND COMPANY (US) 2000-12-05 US disclosed
EP-0920863-A1 2-Aryl-3-aroylbenzo(b)thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP disclosed