SCHEMBL7544137

SCHEMBL7544137

COc1ccc(C2=C(C(=O)c3ccc(OCCBr)cc3)c3ccccc3CC2)cc1C.COc1ccc2c(c1)CCC(c1ccc(F)c(OC)c1)=C2C(=O)c1ccc(OCCBr)cc1.COc1ccc2c(c1)CCC(c1cccc(Cl)c1)=C2C(=O)c1ccc(OCCBr)cc1.COc1ccc2c(c1)CCC(c1cccc(OC)c1Cl)=C2C(=O)c1ccc(OCCBr)cc1.COc1ccc2c(c1)CCC(c1ccccc1OC)=C2C(=O)c1ccc(OCCBr)cc1.COc1cccc(C2=C(C(=O)c3ccc(OCCBr)cc3)c3ccc(OC)cc3CC2)c1.COc1cccc(C2=C(C(=O)c3ccc(OCCCBr)cc3)c3ccc(OC)cc3CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PTGER1 P34995 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL7225086 1.00 ESR1 (0.37) ESR1ESR2EBPSIGMAR1HSP90AA1
SCHEMBL7105874 0.81 ESR1 (0.44) ESR1ESR2EBPSIGMAR1PTGER1
SCHEMBL7111025 0.81 ESR1 (0.47) ESR1ESR2EBPSIGMAR1
SCHEMBL7111478 0.80 ESR1 (0.45) ESR1ESR2PTGER1
SCHEMBL7109898 0.80 ESR1 (0.51) ESR1ESR2EBPSIGMAR1
SCHEMBL7112981 0.78 ESR1 (0.47) ESR1ESR2EBPSIGMAR1PTGER1
SCHEMBL7110416 0.78 ESR1 (0.51) ESR1ESR2EBPSIGMAR1FFAR4
SCHEMBL7106880 0.77 ESR1 (0.51) ESR1ESR2EBPSIGMAR1FFAR4
SCHEMBL7107864 0.73 ALDH1A1 (0.40) ESR1ESR2PTGER1
SCHEMBL3861641 0.72 ESR1 (0.55) ESR1ESR2EBPSIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826670-B1 Naphthalene compounds, intermediates, formulations, and methods LILLY CO ELI (US) 2002-05-08 EP disclosed