SCHEMBL8475692

SCHEMBL8475692

COc1ccc([C@@H]2COc3cc(O)ccc3[C@@H]2c2ccc(CCN3CCCC3)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.58
ESR2 Q92731 6/20 0.58
SIGMAR1 Q99720 4/20 0.45
MEN1 O00255 1/20 0.43
P4HB P07237 1/20 0.43
KMT2A Q03164 1/20 0.43
EBP Q15125 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
F2 P00734 1/20 0.41
EBPL Q9BY08 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8475684 1.00 ESR1 (0.58) ESR1ESR2SIGMAR1MEN1P4HB
SCHEMBL8501732 1.00 ESR1 (0.58) ESR1ESR2SIGMAR1MEN1P4HB
SCHEMBL8475681 1.00 ESR1 (0.58) ESR1ESR2SIGMAR1MEN1P4HB
SCHEMBL8504742 0.93 ESR1 (0.49) ESR1ESR2SIGMAR1MEN1P4HB
SCHEMBL8480534 0.93 ESR1 (0.49) ESR1ESR2SIGMAR1MEN1P4HB
SCHEMBL8480530 0.93 ESR1 (0.49) ESR1ESR2SIGMAR1MEN1P4HB
SCHEMBL8480537 0.93 ESR1 (0.49) ESR1ESR2SIGMAR1MEN1P4HB
SCHEMBL8480159 0.88 ESR1 (0.66) ESR1ESR2ADRA2AADRA2CHRH3
SCHEMBL8504829 0.88 ESR1 (0.66) ESR1ESR2ADRA2AADRA2CHRH3
SCHEMBL8480162 0.88 ESR1 (0.66) ESR1ESR2ADRA2AADRA2CHRH3

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
US-5919817-A NOVEL HYDROXY SUBSTITUTED CIS-3,4-DI((SUBSTITUTED)PHENYL) CHROMANE DERIVATIVES NOVO NORDISK A/S (DK) 1999-07-06 US disclosed