SCHEMBL8598366

SCHEMBL8598366

COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)sc2c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.89
ESR2 Q92731 18/20 0.89
ENPP1 P22413 2/20 0.74
ENPP3 O14638 1/20 0.74
MEN1 O00255 1/20 0.72
PLD2 O14939 1/20 0.72
KDM1A O60341 1/20 0.72
NR1I2 O75469 1/20 0.72
USP2 O75604 1/20 0.72
ALDH1A1 P00352 1/20 0.72
C5 P01031 1/20 0.72
LMNA P02545 1/20 0.72
TP53 P04637 1/20 0.72
FYN P06241 1/20 0.72
PGR P06401 1/20 0.72
CYP3A4 P08684 1/20 0.72
ADRA2A P08913 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
CYP2D6 P10635 1/20 0.72
MAPT P10636 1/20 0.72

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
SCHEMBL8598353 1.00 ESR1 (0.89) ESR1ESR2ENPP1ENPP3MEN1
SCHEMBL8600306 0.99 ESR1 (0.88) ESR1ESR2ENPP1ENPP3MEN1
SCHEMBL8599997 0.95 ESR1 (0.81) ESR1ESR2ENPP1ENPP3MEN1
SCHEMBL8935070 0.95 ESR1 (0.81) ESR1ESR2ENPP1ENPP3MEN1
SCHEMBL11554399 0.95 ESR1 (0.88) ESR1ESR2ENPP1ENPP3MEN1
SCHEMBL8597639 0.94 ESR1 (0.80) ESR1ESR2ENPP1ENPP3MEN1
SCHEMBL1665661 0.94 ESR1 (1.00) ESR1ESR2ENPP1ENPP3MEN1
SCHEMBL6595860 0.94 ESR1 (0.96) ESR1ESR2ENPP1ENPP3MEN1
SCHEMBL6141743 0.94 ESR1 (0.84) ESR1ESR2ENPP1ENPP3MEN1
Bromide SCHEMBL1665326 0.94 ESR1 (0.98) ESR1ESR2ENPP1ENPP3MEN1

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 15 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 claimed
US-5482950-A BENZOTHIOPHENE DERIVATIVE ELI LILLY AND COMPANY (US) 1996-01-09 US claimed
US-5480904-A BENZOTHIOPHENE COMPOUND ELI LILLY AND COMPANY (US) 1996-01-02 US claimed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US claimed
US-5441964-A Especially post-memopausal women ELI LILLY AND COMPANY (US) 1995-08-15 US claimed
EP-0657162-A1 Methods for lowering serum cholesterol ELI LILLY AND COMPANY (US) 1995-06-14 EP claimed
EP-0651998-A1 Methods for inhibiting bone loss ELI LILLY AND COMPANY (US) 1995-05-10 EP claimed
EP-0650724-A1 Methods for inhibiting uterine fibrosis ELI LILLY AND COMPANY (US) 1995-05-03 EP claimed
JP-7188011-A None JP disclosed
JP-7188012-A None JP disclosed
EP-0641791-B1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG CO LTD (JP) 1998-01-28 EP disclosed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US disclosed
JP-H07188011-A MEDICINAL COMPOSITION FOR TREATING UTERINE FIBROSIS ELI LILLY & CO 1995-07-25 JP disclosed
JP-H07188012-A INHIBITION OF BONE LOSS ELI LILLY & CO 1995-07-25 JP disclosed
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 EP disclosed