SCHEMBL9853720

SCHEMBL9853720

Cc1cc(O)ccc1Oc1ccc(C(C)(C)c2ccc(Oc3ccc(O)cc3C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.48
ESR2 Q92731 4/20 0.48
CYP3A4 P08684 2/20 0.48
AR P10275 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR6 P50406 1/20 0.48
ESRRG P62508 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.43
PGR P06401 2/20 0.40
FFAR1 O14842 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL825065 0.86 ESR1 (0.52) ESR1ESR2ARPGRMEN1
SCHEMBL10749041 0.86 ESR1 (0.52) ESR1ESR2ARPGRMEN1
SCHEMBL24691090 0.81 HTR2A (0.47) ESR1ARHPGDTSHRSLC6A4
SCHEMBL9860042 0.80 SLC6A4 (0.47) ESR1HPGDTSHRSLC6A2SLC6A4
SCHEMBL2988842 0.80 ALDH1A1 (0.49) CYP3A4HPGDTSHRSLC6A4ALDH1A1
SCHEMBL8494426 0.80 ALDH1A1 (0.49) CYP3A4HPGDTSHRSLC6A4ALDH1A1
SCHEMBL5082815 0.79 LTA4H (0.52) ESR2ARHPGDTSHRHSD17B10
SCHEMBL29363720 0.79 ALDH1A1 (0.56) ESR1CYP3A4HPGDTSHRALDH1A1
SCHEMBL1857666 0.79 ALDH1A1 (0.56) ESR1CYP3A4HPGDTSHRALDH1A1
Phosphoric Acid SCHEMBL6261693 0.78 MAPT (0.40) ESR1HPGDTSHRSLC6A4FFAR1

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-0446722-A1 Novel hydroxylated phenoxy compounds and process for their preparation Bromine Compounds Ltd. (IL) 1991-09-18 EP disclosed