SCHEMBL17827239

SCHEMBL17827239

Bc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
POLB P06746 1/20 0.42
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1D P28221 2/20 0.36
RXRB P28702 5/20 0.35
RXRA P19793 4/20 0.35
RXRG P48443 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL12187809 0.94 GABRA1 (0.46) GABRA1GABRB2POLBGAAMAPT
SCHEMBL17796960 0.84 POLB (0.41) GABRA1GABRB2POLBMAPTHTR1D
SCHEMBL12187548 0.83 GABRA1 (0.39) GABRA1GABRB2POLBGAAMAPT
SCHEMBL93161 0.83 GABRA1 (0.69) GABRA1GABRB2POLBGAAMAPT
SCHEMBL22298248 0.82 GABRA1 (0.37) GABRA1GABRB2POLBHTR1DCYP2C19
SCHEMBL21118089 0.82 GABRA1 (0.37) GABRA1GABRB2POLBGAAMAPT
SCHEMBL10394690 0.79 GABRA1 (0.65) GABRA1GABRB2POLBGAAMAPT
SCHEMBL10415675 0.79 GABRA1 (0.65) GABRA1GABRB2POLBGAAMAPT
SCHEMBL21118092 0.78 CA1 (0.42) GABRA1GABRB2POLBMAPTALDH1A1
SCHEMBL12187819 0.77 GABRA1 (0.38) GABRA1GABRB2POLBKDM4EHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142454-A1 HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND Samsung Display Co., Ltd. (KR) 2023-03-01 EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
EP-2644380-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2016-06-15 EP disclosed