SCHEMBL7945825

SCHEMBL7945825

COc1ccc(-c2sc3cc(O)ccc3c2I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.53
SULT1A1 P50225 1/20 0.50
ESR2 Q92731 3/20 0.49
APP P05067 1/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
TUBB1 Q9H4B7 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL7936838 0.88 TUBB4A (0.57) ESR1ESR2APPTUBB4ATUBB
SCHEMBL7936824 0.83 ESR1 (0.56) ESR1SULT1A1ESR2APPTUBB4A
SCHEMBL7945788 0.83 ESR1 (0.53) ESR1SULT1A1ESR2APPTUBB4A
SCHEMBL14613446 0.81 ESR1 (0.76) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL7075381 0.80 ESR1 (0.72) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL28515985 0.79 TDP1 (0.59) L3MBTL1TDP1CNR1CNR2
SCHEMBL7075664 0.79 ESR1 (0.74) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL7075631 0.79 ESR1 (0.74) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL10170739 0.77 HSP90AA1 (0.57) ESR1ESR2APPTUBB4ATUBB
SCHEMBL11550840 0.77 CNR1 (0.71) ESR1ESR2TUBB4ATUBBTUBA3C

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
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US claimed
US-6087378-A THE ACTIVE BENZO(B)THIOPHENE COMPOUNDS FOR TREATING OSTEOPOROSIS AND CARDIOVASCULAR DISORDERS, ESPECIALLY HYPERLIPIDEMIA ELI LILLY AND COMPANY (US) 2000-07-11 US claimed
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US disclosed
US-6087378-A THE ACTIVE BENZO(B)THIOPHENE COMPOUNDS FOR TREATING OSTEOPOROSIS AND CARDIOVASCULAR DISORDERS, ESPECIALLY HYPERLIPIDEMIA ELI LILLY AND COMPANY (US) 2000-07-11 US disclosed