SCHEMBL17931815

SCHEMBL17931815

CC(C)(C)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
POLB P06746 1/20 0.37
ACLY P53396 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HTR1D P28221 1/20 0.32
TDO2 P48775 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL17931813 0.95 GABRA1 (0.40) GABRA1GABRB2POLBACLYKDM4E
SCHEMBL21335846 0.87 GABRA1 (0.37) GABRA1GABRB2POLBACLYMAPT
SCHEMBL16564651 0.86 POLB (0.37) GABRA1GABRB2POLBRXRARXRB
SCHEMBL12347531 0.80 RAPGEF4 (0.47) MAPTALDH1A1
SCHEMBL12203150 0.80 SMN1; SMN2 (0.32) MAPT
SCHEMBL1336759 0.78 GABRA1 (0.50) GABRA1GABRB2POLBACLYKDM4E
SCHEMBL17931811 0.77 CYP2C19 (0.33) GABRA1GABRB2RXRACYP2C19
SCHEMBL13503242 0.77 HDAC8 (0.47) HDAC3HDAC6HDAC8
SCHEMBL93161 0.76 GABRA1 (0.69) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL8116484 0.76 GABRA1 (0.48) GABRA1GABRB2POLBACLYKDM4E

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-11697838-B2 Oligonucleotide-functionalized hydrophobic polymer nanoparticles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-07-11 US disclosed
US-20210130875-A1 OLIGONUCLEOTIDE-FUNCTIONALIZED HYDROPHOBIC POLYMER NANOPARTICLES UNIVERSITE DE STRASBOURG (FR) 2021-05-06 US disclosed
WO-2019170860-A1 OLIGONUCLEOTIDE-FUNCTIONALIZED HYDROPHOBIC POLYMER NANOPARTICLES UNIVERSITE DE STRASBOURG (FR) 2019-09-12 WO disclosed
US-20160218354-A1 Hybrid Electrode For Non-Aqueous Electrolyte Secondary Battery UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2016-07-28 US disclosed
US-20160218354-A1 Hybrid Electrode For Non-Aqueous Electrolyte Secondary Battery UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2016-07-28 US disclosed
US-20160211048-A1 A Process For The Preparation Of A Conductive Polymer Composite UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2016-07-21 US disclosed
US-20160211048-A1 A Process For The Preparation Of A Conductive Polymer Composite UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2016-07-21 US disclosed