SCHEMBL4946747

SCHEMBL4946747

CCC(CCCC(c1ccc(O)cc1)c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.58
ESR2 Q92731 12/20 0.58
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCL2L1 Q07817 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCL2L2 Q92843 1/20 0.42
AR P10275 3/20 0.40
CYP3A4 P08684 3/20 0.40
LMNA P02545 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CHRM1 P11229 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
SCHEMBL7909601 0.84 ESR1 (0.63) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL5973519 0.84 ESR1 (0.63) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL6562079 0.80 ESR1 (0.85) ESR1ESR2ALDH1A1ARCYP3A4
SCHEMBL30103343 0.79 ESR1 (0.54) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL6561210 0.79 ESR1 (0.75) ESR1ESR2ALDH1A1ARCYP3A4
SCHEMBL4455629 0.77 ESR1 (0.78) ESR1ESR2AR
SCHEMBL15987572 0.77 ESR1 (0.72) ESR1ESR2ALDH1A1CYP3A4LMNA
SCHEMBL9847877 0.77 ESR1 (0.58) ESR1ESR2ALDH1A1ARCYP3A4
SCHEMBL335067 0.76 ESR1 (0.50) ESR1ESR2ALDH1A1ARCYP3A4
SCHEMBL1334149 0.76 ESR1 (0.83) ESR1ESR2ARCYP3A4LMNA

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
US-7381786-B2 Methods of polymer preparation using polycyclic dihydroxy compounds GENERAL ELECTRIC COMPANY (US) 2008-06-03 US disclosed
US-20070260033-A1 METHODS OF POLYMER PREPARATION USING POLYCYCLIC DIHYDROXY COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2007-11-08 US disclosed