SCHEMBL2300766

SCHEMBL2300766

C=CCc1cc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
ESR2 Q92731 4/20 0.53
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX5 P09917 1/20 0.41
GABRB1 P18505 1/20 0.41
RXRA P19793 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
AKR1B1 P15121 2/20 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
SCHEMBL29463283 0.94 GABRA1 (0.56) ESR1ESR2GABRA1GABRB2POLB
SCHEMBL1055347 0.94 GABRA1 (0.56) ESR1ESR2GABRA1GABRB2POLB
SCHEMBL29414940 0.94 GABRA1 (0.56) ESR1ESR2GABRA1GABRB2POLB
2-Allylphenol SCHEMBL22207670 0.87 GABRA1 (0.49) ESR1ESR2GABRA1GABRB2POLB
SCHEMBL1400362 0.81 GABRA1 (0.59) ESR1ESR2GABRA1GABRB2POLB
SCHEMBL25933458 0.80 ESR1 (0.58) ESR1ESR2KLF10
SCHEMBL7608902 0.79 ESR1 (0.36) ESR1ESR2GABRA1GABRB2POLB
SCHEMBL13609945 0.79 GABRA1 (0.53) ESR1ESR2GABRA1GABRB2POLB
SCHEMBL29370122 0.79 KLF10 (0.56) ESR1ESR2GABRA1GABRB2POLB
SCHEMBL28417627 0.79 GABRA1 (0.53) ESR1ESR2GABRA1GABRB2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998415-B2 Functionalized particles for composite sensors MICHIGAN MOLECULAR INSTITUTE (US) 2011-08-16 US disclosed
US-7998416-B2 Functionalized particles for composite sensors MICHIGAN MOLECULAR INSTITUTE (US) 2011-08-16 US disclosed
US-7799276-B2 Functionalized particles for composite sensors MICHIGAN MOLECULAR INSTITUTE (US) 2010-09-21 US disclosed
US-20100209301-A1 FUNCTIONALIZED PARTICLES FOR COMPOSITE SENSORS HARTMANN-THOMPSON CLAIRE 2010-08-19 US disclosed
US-20090263287-A1 FUNCTIONALIZED PARTICLES FOR COMPOSITE SENSORS HARTMANN-THOMPSON CLAIRE 2009-10-22 US disclosed
EP-1529804-A1 Composite materials and chemical sensors made therefrom Michigan Molecular Institute (US) 2005-05-11 EP disclosed
US-20050090015-A1 Functionalized particles for composite sensors MICHIGAN MOLECULAR INSTITUTE 2005-04-28 US disclosed