SCHEMBL7582157

SCHEMBL7582157

COc1ccc(C2Cc3cc(O)ccc3C2(O)Cc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.49
ESR2 Q92731 17/20 0.49
LTA4H P09960 1/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
MAPT P10636 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 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
SCHEMBL7582528 0.99 LTA4H (0.49) ESR1ESR2LTA4HGRIN2DGRIN3B
SCHEMBL7582587 0.95 ESR1 (0.54) ESR1ESR2GRIN2DGRIN3BMAPT
SCHEMBL7575042 0.94 LTA4H (0.51) ESR1ESR2LTA4HMAPT
SCHEMBL7573215 0.94 ESR1 (0.53) ESR1ESR2GRIN2DGRIN3BMAPT
SCHEMBL7580211 0.90 ESR1 (0.54) ESR1ESR2
SCHEMBL7580976 0.88 ESR1 (0.52) ESR1ESR2LTA4H
SCHEMBL7574152 0.79 ESR1 (0.49) ESR1ESR2LTA4H
SCHEMBL7574268 0.77 LTA4H (0.47) ESR1ESR2LTA4H
SCHEMBL6143511 0.77 ESR1 (0.59) ESR1ESR2
SCHEMBL6143512 0.77 ESR1 (0.59) ESR1ESR2

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-5994370-A ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1999-11-30 US claimed
EP-0873992-B1 Indene compounds having activity as SERMs LILLY CO ELI (US) 2002-09-25 EP disclosed
US-5994370-A ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1999-11-30 US disclosed
EP-0873992-A1 Indene compounds having activity as SERMs ELI LILLY AND COMPANY (US) 1998-10-28 EP disclosed