SCHEMBL29160643

SCHEMBL29160643

CC(C)(C)c1cc(CCC(=O)Oc2ccc(O)c(C(C)(C)C)c2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.51
ATM Q13315 2/20 0.51
GAA P10253 1/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
ESRRA P11474 2/20 0.48
ALDH1A1 P00352 1/20 0.48
APP P05067 1/20 0.44
KMT2A Q03164 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL27984393 0.92 ATM (0.51) NR1H4ATMGAAXBP1NPSR1
SCHEMBL9171236 0.91 NR1H4 (0.42) NR1H4ATMGAAXBP1NPSR1
SCHEMBL29206781 0.90 APP (0.43) NR1H4ATMGAAXBP1NPSR1
SCHEMBL9172620 0.89 KMT2A (0.49) NR1H4ATMGAAXBP1NPSR1
SCHEMBL9169512 0.89 LMNA (0.44) NR1H4ATMGAAXBP1NPSR1
SCHEMBL3686615 0.84 ATM (0.60) NR1H4ATMGAAXBP1NPSR1
SCHEMBL490455 0.84 GAA (0.49) GAAESRRAALDH1A1APPKMT2A
SCHEMBL852758 0.83 NR1H4 (0.53) NR1H4ATMGAAXBP1NPSR1
SCHEMBL6130581 0.83 NR1H4 (0.53) NR1H4ATMGAAXBP1NPSR1
SCHEMBL29268232 0.82 ATM (0.64) NR1H4ATMGAAXBP1NPSR1

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-117567792-A Anti-aging composition and application thereof in raw rubber 天津利安隆新材料股份有限公司 2024-02-20 CN claimed