SCHEMBL3235494

SCHEMBL3235494

CCC(CCCc1ccc(O)cc1)c1ccc(O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.48
ESR1 P03372 6/20 0.45
ESR2 Q92731 3/20 0.45
ALOX15 P16050 2/20 0.43
IGF1R P08069 1/20 0.43
ADORA3 P0DMS8 4/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
ADRA2A P08913 3/20 0.41
SLC6A4 P31645 3/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 3/20 0.41
TACR2 P21452 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
PTGS1 P23219 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
EGFR P00533 2/20 0.41

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
SCHEMBL3235488 0.82 ESR1 (0.51) SHBGESR1ESR2ALOX15IGF1R
SCHEMBL11051520 0.78 ESR1 (0.59) SHBGESR1ESR2ALOX15IGF1R
SCHEMBL3236171 0.78 ESR1 (0.69) SHBGESR1ESR2SLC6A2CYP3A4
SCHEMBL1425068 0.74 ESR1 (0.67) SHBGESR1ESR2ALOX15ADORA3
SCHEMBL3234319 0.74 IGF1R (0.63) SHBGESR1ESR2ALOX15IGF1R
SCHEMBL10946354 0.73 SHBG (0.78) SHBGESR1ESR2ALOX15ADORA3
SCHEMBL3236053 0.72 ESR1 (0.69) SHBGESR1ESR2ALOX15IGF1R
SCHEMBL22198693 0.71 SHBG (0.49) SHBGESR1ESR2ALOX15CYP3A4
SCHEMBL3653415 0.71 ESR1 (0.55) SHBGESR1ESR2ALOX15IGF1R
SCHEMBL3232262 0.71 ESR1 (0.66) SHBGESR1ESR2SLC6A2CYP3A4

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
WO-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 WO disclosed