SCHEMBL7080954

SCHEMBL7080954

COc1cccc(Sc2cc(OC)ccc2C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MTNR1A P48039 8/20 0.50
▸ MTNR1B P49286 8/20 0.50
▸ HSP90AA1 P07900 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ EDNRA P25101 2/20 0.46
▸ IDO1 P14902 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43

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
SCHEMBL8471042 0.93 MTNR1A (0.46) ALDH1A1CYP3A4HPGDMAPK1MTNR1A
SCHEMBL8470680 0.90 HPGD (0.53) ALDH1A1CYP3A4HPGDMAPK1MTNR1A
SCHEMBL30407941 0.88 EDNRA (0.52) MTNR1AMTNR1BHSP90AA1NPC1MEN1
SCHEMBL13921306 0.80 EDNRA (0.46) ALDH1A1HPGDMAPK1MTNR1AMTNR1B
SCHEMBL11175864 0.79 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDMAPK1NPC1
SCHEMBL19424137 0.78 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDMAPK1NPC1
SCHEMBL5030912 0.77 EDNRA (0.55) HPGDMTNR1AMTNR1BHSP90AA1NPC1
SCHEMBL4805875 0.76 HPGD (0.62) ALDH1A1HPGDMTNR1AMTNR1BNPC1
SCHEMBL21248520 0.75 SIRT1 (0.62) HPGDMTNR1AMTNR1BHSP90AA1NPC1
SCHEMBL10358495 0.75 KMT2A (0.52) ALDH1A1HPGDMTNR1AMTNR1BHSP90AA1

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 9 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 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-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 — — US disclosed
US-6156786-A ANTIESTROGENS ELI LILLY AND COMPANY (US) 2000-12-05 — — US disclosed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 — — 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
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 — — EP disclosed
WO-1999025707-A1 2-ARYLBENZO[b]THIOPHENES USEFUL FOR THE TREATMENT OF ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 1999-05-27 — — WO disclosed
WO-1999025706-A1 2-ARYL-3-AROYLBENZO[B]THIOPHENES USEFUL FOR THE TREATMENT OF ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 1999-05-27 — — WO disclosed
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