SCHEMBL7971635

SCHEMBL7971635

COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(OC(C(C)O)C3CCNC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 0.50
TUBB1 Q9H4B7 2/20 0.50
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
ESR1 P03372 11/20 0.49
ESR2 Q92731 11/20 0.49
ENPP3 O14638 1/20 0.42

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
SCHEMBL7967875 0.95 ESR1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7968881 0.95 ESR1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8310884 0.90 ESR1 (0.52) CNR1ESR1ESR2TDP1
SCHEMBL11546641 0.81 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5026252 0.78 CNR1 (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6773072 0.77 ESR1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL6767153 0.77 ESR1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21633429 0.77 ESR1 (0.57) CNR1ESR1ESR2TDP1
SCHEMBL6836408 0.75 ESR1 (0.55) CNR1ESR1ESR2TDP1
SCHEMBL8082353 0.74 TUBB4A (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902025-A2 Benzothiophenes for treatment of estrogen related conditions ELI LILLY AND COMPANY (US) 1999-03-17 EP claimed
US-6291484-B1 TREATMENT OF THE VARIOUS MEDICAL CONDITIONS ASSOCIATED WITH POSTMENOPAUSAL SYNDROME ELI LILLY AND COMPANY 2001-09-18 US disclosed
US-6090843-A POSTMENOPAUSE DISEASES; ESTROGEN SENSITIVITY; BONE DISORDERS ELI LILLY AND COMPANY (US) 2000-07-18 US disclosed