SCHEMBL7580940

SCHEMBL7580940

Oc1ccc2c(c1)CC(c1ccccc1)=C2Cc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.64
ESR2 Q92731 8/20 0.64
LTA4H P09960 6/20 0.55
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49

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
SCHEMBL7574747 0.94 ESR1 (0.73) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7576301 0.93 ESR1 (0.74) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7582532 0.90 ESR1 (0.65) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL7574765 0.90 ESR1 (0.57) ESR1ESR2LTA4H
SCHEMBL7580135 0.90 ESR1 (0.67) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL7581961 0.89 ESR1 (0.59) ESR1ESR2LTA4H
SCHEMBL8504413 0.88 EBP (0.64) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL7574693 0.87 ESR1 (0.61) ESR1ESR2
SCHEMBL7573976 0.86 ESR1 (0.62) ESR1ESR2
SCHEMBL7573077 0.86 ESR1 (0.60) 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