SCHEMBL8599297

SCHEMBL8599297

COc1ccc2c(C(=O)c3ccc(OCCN4CCCC4)cc3)c(C)sc2c1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.80
ESR2 Q92731 19/20 0.80
ENPP3 O14638 1/20 0.64
ENPP1 P22413 1/20 0.64

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
SCHEMBL8597127 0.90 ESR1 (0.98) ESR1ESR2
SCHEMBL8597591 0.89 ESR1 (0.76) ESR1ESR2ENPP3ENPP1
SCHEMBL6595860 0.89 ESR1 (0.96) ESR1ESR2ENPP3ENPP1
SCHEMBL6663935 0.88 ESR1 (0.98) ESR1ESR2ENPP3ENPP1
SCHEMBL8599167 0.87 ESR1 (0.81) ESR1ESR2ENPP3ENPP1
SCHEMBL1665661 0.87 ESR1 (1.00) ESR1ESR2ENPP3ENPP1
SCHEMBL6141703 0.87 ESR1 (0.80) ESR1ESR2ENPP3ENPP1
SCHEMBL6142050 0.86 ESR1 (0.75) ESR1ESR2ENPP3ENPP1
Bromide SCHEMBL1665326 0.86 ESR1 (0.98) ESR1ESR2ENPP3ENPP1
Hydrochloric Acid SCHEMBL2495864 0.86 ESR1 (1.00) ESR1ESR2ENPP3ENPP1

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-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
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 EP disclosed