SCHEMBL2014096

SCHEMBL2014096

CCC(Cc1ccc(O)cc1)(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.62
ESR2 Q92731 11/20 0.62
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
KIF11 P52732 2/20 0.45
BLM P54132 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL311875 0.95 ESR1 (0.64) ESR1ESR2ALDH1A1CYP3A4KIF11
SCHEMBL28613436 0.87 ESR1 (0.83) ESR1ESR2ALDH1A1CYP3A4
SCHEMBL10601326 0.85 CYP1A2 (0.50) ESR1ESR2CYP3A4KIF11CYP1A2
SCHEMBL9516998 0.84 ESR1 (0.51) ESR1ESR2ALDH1A1KIF11CYP1A2
SCHEMBL68967 0.83 KIF11 (0.51) ESR1ESR2ALDH1A1CYP3A4KIF11
SCHEMBL14157984 0.81 ESR1 (0.44) ESR1ESR2
SCHEMBL6842047 0.80 ESR1 (0.61) ESR1ESR2CYP3A4BLM
SCHEMBL5076777 0.79 ESR1 (0.43) ESR1ESR2ALDH1A1CYP3A4KIF11
SCHEMBL258649 0.78 ESR1 (1.00) ESR1ESR2ALDH1A1CYP3A4
SCHEMBL2416999 0.78 ESR1 (0.60) ESR1ESR2ALDH1A1CYP3A4KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512674-B1 PROCESS FOR ASSEMBLING ELEMENTS CONTAINING BIOLOGICAL SUBSTANCES SICPA HOLDING SA (CH) 2018-04-04 EP disclosed
EP-2512674-A1 PROCESS FOR ASSEMBLING ELEMENTS CONTACTING BIOLOGICAL SUBSTANCES OLIVETTI S.p.A. (IT) 2012-10-24 EP disclosed
US-20120248103-A1 PROCESS FOR ASSEMBLING ELEMENTS CONTAINING BIOLOGICAL SUBSTANCES OLIVETTI I-JET S.P.A. (IT) 2012-10-04 US disclosed
WO-2011072715-A1 PROCESS FOR ASSEMBLING ELEMENTS CONTACTING BIOLOGICAL SUBSTANCES TELECOM ITALIA S.P.A. (IT) 2011-06-23 WO disclosed