SCHEMBL7077281

SCHEMBL7077281

COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.69
TUBB P07437 3/20 0.69
TUBA3C P0DPH7 3/20 0.69
TUBA1B P68363 3/20 0.69
TUBA4A P68366 3/20 0.69
TUBB4B P68371 3/20 0.69
TUBB3 Q13509 3/20 0.69
TUBB2A Q13885 3/20 0.69
TUBB8 Q3ZCM7 3/20 0.69
TUBA3E Q6PEY2 3/20 0.69
TUBA1A Q71U36 3/20 0.69
TUBA1C Q9BQE3 3/20 0.69
TUBB6 Q9BUF5 3/20 0.69
TUBB2B Q9BVA1 3/20 0.69
TUBB1 Q9H4B7 3/20 0.69
L3MBTL1 Q9Y468 7/20 0.61
TDP1 Q9NUW8 3/20 0.61
CNR1 P21554 2/20 0.61
CNR2 P34972 2/20 0.61
ATM Q13315 2/20 0.58

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
Hydrochloric Acid SCHEMBL7748537 0.99 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7078639 0.93 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5026252 0.89 CNR1 (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7104458 0.88 CNR2 (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7748528 0.87 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8157541 0.87 L3MBTL1 (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8166057 0.87 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5027082 0.86 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11547494 0.85 CNR2 (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1665792 0.84 CNR1 (0.70) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832891-B1 Dihydrobenzo (B) indeno (2,1-D) thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-07-30 EP disclosed
EP-0832890-B1 Benzo (B) indeno (2,1-D) thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-07-02 EP disclosed
US-6440958-B1 TREATMENT OF MENOPAUSE ELI LILLY AND COMPANY 2002-08-27 US disclosed
US-6350884-B1 MULTISTAGE REACTION TO FORM ALDEHYDE FROM ACRYLATE BY HYDROGENATION AND REACTION WITH TRIALKYL PHOSPHONOACETATE CARBANION ELI LILLY AND COMPANY 2002-02-26 US disclosed
EP-0842169-B1 BENZOTHIOPHENE COMPOUNDS LILLY CO ELI (US) 2001-01-03 EP disclosed
US-6133458-A FOR INHIBITING BONE LOSS OR BONE RESORPTION, PARTICULARLY OSTEOPOROSIS, CARDIOVASCULAR-RELATED PATHOLOGICAL CONDITIONS INCLUDING HYPERLIPIDEMIA AND RELATED CARDIOVASCULAR PATHOLOGIES, AND ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
US-6018056-A Intermediates and processes for preparing benzo (b) thiophenes ELI LILLY AND COMPANY (US) 2000-01-25 US disclosed
EP-0842169-A4 BENZOTHIOPHENE COMPOUNDS LILLY CO ELI (US) 1998-10-14 EP disclosed
EP-0842169-A1 BENZOTHIOPHENE COMPOUNDS ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed
EP-0832891-A1 Dihydrobenzo (B) indeno (2,1-D) thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0832890-A1 Benzo (B) indeno (2,1-D) thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
WO-1997001549-A1 BENZOTHIOPHENE COMPOUNDS ELI LILLY AND COMPANY (US) 1997-01-16 WO disclosed