SCHEMBL21884099

SCHEMBL21884099

CCc1cc(CC)c(Br)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL10799329 0.91 GABRA1 (0.42) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL11807767 0.90 GABRA1 (0.46) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL15788771 0.80 TSHR (0.44) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL4889470 0.80 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL24456198 0.78 ALOX15 (0.59) GABRA1GABRB2ALOX15ALOX12POLB
SCHEMBL10545243 0.78 POLB (0.38) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL903950 0.78 GABRA1 (0.37) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL11808190 0.77 GRIN2D (0.41) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL13248013 0.77 ALOX15 (0.44) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL16736693 0.76 ALOX15 (0.47) ALOX15ALOX12SMN1; SMN2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020071798-A1 COMPOUND, COLORED RESIN COMPOSITION, COLOR FILTER, AND DISPLAY DEVICE 동우 화인켐 주식회사 2020-04-09 WO disclosed