SCHEMBL28910102

SCHEMBL28910102

Cc1cccc(C)c1-c1cccc(O)c1-c1c(C)cccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.50
ATM Q13315 2/20 0.50
MYC P01106 1/20 0.47
MAOA P21397 2/20 0.46
ELANE P08246 2/20 0.46
CTSG P08311 1/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 3/20 0.45
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
MAOB P27338 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 5/20 0.44

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
SCHEMBL11024469 0.85 TRPA1 (0.59) TRPA1ATMMYCMAOAELANE
SCHEMBL7637942 0.85 TRPA1 (0.59) TRPA1ATMMYCMAOAELANE
SCHEMBL6530985 0.84 MYC (0.53) TRPA1ATMMYCMAOAELANE
SCHEMBL31521298 0.83 TRPA1 (0.62) TRPA1ATMMYCMAOAELANE
SCHEMBL109980 0.83 TRPA1 (0.62) TRPA1ATMMYCMAOAELANE
SCHEMBL29763174 0.83 TRPA1 (0.62) TRPA1ATMMYCMAOAELANE
SCHEMBL7583763 0.82 TRPA1 (0.50) TRPA1ATMMYCMAOAELANE
SCHEMBL7647835 0.82 TRPA1 (0.50) TRPA1ATMMYCMAOAELANE
SCHEMBL30535832 0.82 TRPA1 (0.50) TRPA1ATMMYCMAOAELANE
SCHEMBL19813844 0.82 TRPA1 (0.62) TRPA1ATMMYCMAOAELANE

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
CN-115335431-A Modified poly (phenylene ether) copolymers, compositions, and methods thereof 高新特殊工程塑料全球技术有限公司 2022-11-11 CN disclosed