SCHEMBL14372106

SCHEMBL14372106

CC(C)(C)c1cc(N(O)C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
CYP2C19 P33261 2/20 0.41
RXRB P28702 9/20 0.35
RXRA P19793 8/20 0.35
RXRG P48443 7/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TYR P14679 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL16564660 0.87 RXRA (0.38) GABRA1GABRB2CYP2C19RXRBRXRA
SCHEMBL14372104 0.81 HMGCR (0.36) GABRA1GABRB2CYP2C19
SCHEMBL17931811 0.81 CYP2C19 (0.33) GABRA1GABRB2CYP2C19RXRA
SCHEMBL13673476 0.80 GABRA1 (0.52) GABRA1GABRB2CYP2C19RXRBRXRA
SCHEMBL14372107 0.80 GABRA1 (0.52) GABRA1GABRB2CYP2C19RXRBRXRA
SCHEMBL13813888 0.76 LMNA (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL23051506 0.75 GABRA1 (0.46) GABRA1GABRB2CYP2C19RXRBRXRA
SCHEMBL93161 0.72 GABRA1 (0.69) GABRA1GABRB2CYP2C19RXRBRXRA
SCHEMBL22181552 0.72 GABRA1 (0.48) GABRA1GABRB2CYP2C19RXRBRXRA
SCHEMBL345598 0.72 GABRA1 (0.48) GABRA1GABRB2CYP2C19RXRBRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070231744-A1 Holographic recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2007-10-04 US disclosed
US-20070231744-A1 Holographic recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2007-10-04 US disclosed