SCHEMBL6323574

SCHEMBL6323574

CC(C)(C)c1ccc2c(Br)c(C(C)(C)C)ccc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
NR1I2 O75469 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
MIF P14174 1/20 0.31
TYR P14679 1/20 0.31
HTT P42858 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRA1 P14867 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
SCHEMBL9880930 0.79 CA2 (0.31) CA2ALDH1A1TSHRTDP1
SCHEMBL30473805 0.77 NR1I2 (0.54) ALDH1A1TSHRTDP1ALOX15CYP1A2
SCHEMBL11891515 0.77 POLB (0.50) ALDH1A1TSHRTDP1KDM4ECYP1A2
SCHEMBL29164446 0.76 CA2 (0.33) CA2ALDH1A1TSHRTDP1ALOX15
SCHEMBL2201130 0.74 CA2 (0.55) CA2ALDH1A1TSHRTDP1ALOX15
SCHEMBL6510238 0.74 CA2 (0.32) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL28349075 0.72 ALDH1A1 (0.36) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL5803525 0.71 KIF11 (0.32) ALDH1A1TSHRTDP1
SCHEMBL11949591 0.69
SCHEMBL6681932 0.69 CA2 (0.48) CA2ALDH1A1TSHRTDP1GABRA1

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
US-20050214567-A1 Organic element for electroluminescent devices EASTMAN KODAK COMPANY 2005-09-29 US disclosed