SCHEMBL29639815

SCHEMBL29639815

CC(C)c1ccc(C(C(N)=O)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.47
KIF11 P52732 1/20 0.47
HTT P42858 1/20 0.47
TYR P14679 2/20 0.45
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.40
USP5 P45974 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL1677068 0.88 FFAR2 (0.62) FFAR2LMNA
SCHEMBL1677147 0.88 FFAR2 (0.62) FFAR2LMNA
SCHEMBL1677071 0.88 FFAR2 (0.62) FFAR2LMNA
SCHEMBL11316797 0.83 FFAR2 (0.42) FFAR2HTTALDH1A1
SCHEMBL17892145 0.83 ALOX5 (0.53) FFAR2EPHX1SMN1; SMN2
SCHEMBL17892146 0.83 ALOX5 (0.53) FFAR2EPHX1SMN1; SMN2
SCHEMBL1483328 0.83 CYP2D6 (0.54) CYP2D6HIF1AKDM4EEPHX1LMNA
SCHEMBL5475337 0.83 CYP2D6 (0.54) CYP2D6HIF1AKDM4EEPHX1LMNA
SCHEMBL14749339 0.83 CYP2D6 (0.54) CYP2D6HIF1AKDM4EEPHX1LMNA
SCHEMBL10160920 0.82 TP53 (0.46) FFAR2TYRALDH1A1SMN1; SMN2CA12

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-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed