SCHEMBL8527601

SCHEMBL8527601

COc1ccc(C2CC(c3ccc(CCN4CCCC4)cc3)c3cc(O)ccc3O2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
ESR1 P03372 6/20 0.42
ESR2 Q92731 6/20 0.42
EBP Q15125 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
OPRM1 P35372 1/20 0.41
F2 P00734 1/20 0.40
EBPL Q9BY08 1/20 0.39

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
SCHEMBL8501518 0.80 ESR1 (0.56) ESR1ESR2
SCHEMBL8504742 0.79 ESR1 (0.49) SIGMAR1ESR1ESR2EBPTMEM97
SCHEMBL8480534 0.79 ESR1 (0.49) SIGMAR1ESR1ESR2EBPTMEM97
SCHEMBL8480537 0.79 ESR1 (0.49) SIGMAR1ESR1ESR2EBPTMEM97
SCHEMBL8480530 0.79 ESR1 (0.49) SIGMAR1ESR1ESR2EBPTMEM97
SCHEMBL8475681 0.75 ESR1 (0.58) SIGMAR1ESR1ESR2EBPTMEM97
SCHEMBL8501732 0.75 ESR1 (0.58) SIGMAR1ESR1ESR2EBPTMEM97
SCHEMBL8475692 0.75 ESR1 (0.58) SIGMAR1ESR1ESR2EBPTMEM97
SCHEMBL8475684 0.75 ESR1 (0.58) SIGMAR1ESR1ESR2EBPTMEM97
SCHEMBL8475549 0.68 ESR1 (0.56) ESR1ESR2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937061-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP claimed
WO-1998018777-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO claimed