SCHEMBL8599829

SCHEMBL8599829

COc1ccc2c(C(=O)c3ccc(OCCCN4CCN(C)CC4)cc3)c(-c3ccccc3)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.70
ESR2 Q92731 18/20 0.70
ENPP1 P22413 2/20 0.59
ENPP3 O14638 1/20 0.59

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
SCHEMBL8601304 0.95 ESR1 (0.77) ESR1ESR2ENPP1ENPP3
SCHEMBL8597639 0.94 ESR1 (0.80) ESR1ESR2ENPP1ENPP3
SCHEMBL8599997 0.93 ESR1 (0.81) ESR1ESR2ENPP1ENPP3
SCHEMBL8935070 0.93 ESR1 (0.81) ESR1ESR2ENPP1ENPP3
SCHEMBL8596249 0.91 ESR1 (0.68) ESR1ESR2ENPP1ENPP3
SCHEMBL8935077 0.91 ESR1 (0.77) ESR1ESR2
SCHEMBL8600306 0.89 ESR1 (0.88) ESR1ESR2ENPP1ENPP3
SCHEMBL8598889 0.89 ESR1 (0.62) ESR1ESR2ENPP1ENPP3
SCHEMBL8598353 0.88 ESR1 (0.89) ESR1ESR2ENPP1ENPP3
SCHEMBL8598366 0.88 ESR1 (0.89) ESR1ESR2ENPP1ENPP3

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-0641791-B1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG CO LTD (JP) 1998-01-28 EP disclosed
US-5556876-A ANTICHOLESTEROL AGENTS USING DERIVATIVES OF BENZOTHIENYL KETONES ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
US-5552433-A ADMINISTERING SPECIFIED COMPOUND TO A HUMAN ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5521172-A BENZOTHIOPHENE KETONES WITH BENZENE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
US-5482950-A BENZOTHIOPHENE DERIVATIVE ELI LILLY AND COMPANY (US) 1996-01-09 US disclosed
US-5480904-A BENZOTHIOPHENE COMPOUND ELI LILLY AND COMPANY (US) 1996-01-02 US disclosed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US disclosed
US-5441964-A Especially post-memopausal women ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
EP-0657162-A1 Methods for lowering serum cholesterol ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed
EP-0651998-A1 Methods for inhibiting bone loss ELI LILLY AND COMPANY (US) 1995-05-10 EP disclosed
EP-0650724-A1 Methods for inhibiting uterine fibrosis ELI LILLY AND COMPANY (US) 1995-05-03 EP disclosed
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 EP disclosed