SCHEMBL29137515

SCHEMBL29137515

CC(C)(C)OOOC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.37
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL11237759 0.87 TSHR (0.39) TSHRALDH1A1HSD17B10TDP1MAPK1
SCHEMBL29137519 0.82 RIPK1 (0.37) TSHRALDH1A1HSD17B10TDP1MAPK1
SCHEMBL2707842 0.79 IDO1 (0.43) TSHRMAPK1SCN1ASCN2ASCN3A
SCHEMBL11659192 0.74 TSHR (0.39) TSHRALDH1A1HSD17B10TDP1MAPK1
SCHEMBL27280965 0.74 IDO1 (0.46) TSHRMAPK1SCN1ASCN2ASCN3A
SCHEMBL23032124 0.73 HTT (0.41) TSHRMAPK1SCN1ASCN2ASCN3A
SCHEMBL7654223 0.72 RIPK1 (0.39) TSHRALDH1A1HSD17B10TDP1MAPK1
Isopropylbenzene SCHEMBL2522337 0.71 RIPK1 (0.42) TSHRALDH1A1HSD17B10TDP1MAPK1
SCHEMBL28701700 0.71 MAPK1 (0.41) TSHRALDH1A1HSD17B10TDP1MAPK1
Isopropylbenzene SCHEMBL8373967 0.70 ALDH1A1 (0.44) TSHRALDH1A1HSD17B10TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117142915-A Method for synthesizing organic peroxy compound by decarboxylation of carboxylic acid under catalysis of visible light 中国人民大学 2023-12-01 CN claimed
CN-117142915-A Method for synthesizing organic peroxy compound by decarboxylation of carboxylic acid under catalysis of visible light 中国人民大学 2023-12-01 CN disclosed