SCHEMBL29268232

SCHEMBL29268232

CCCCC(=O)Oc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.64
GAA P10253 1/20 0.64
XBP1 P17861 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NR1H4 Q96RI1 7/20 0.52
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
ESRRA P11474 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CA2 P00918 1/20 0.43
VCAM1 P19320 1/20 0.42

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
SCHEMBL27489025 0.96 ATM (0.63) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL9224473 0.94 ATM (0.62) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL11783407 0.94 ATM (0.62) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL3686615 0.91 ATM (0.60) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL28808804 0.88 ATM (0.67) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL13915522 0.86 ATM (0.50) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL5062825 0.85 ATM (0.59) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL29563822 0.85 ATM (0.59) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL27984393 0.85 ATM (0.51) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL852758 0.84 NR1H4 (0.53) ATMGAAXBP1NPSR1L3MBTL1

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-116917396-A Stabilizer composition for silyl modified polymer sealants 科莱恩国际有限公司 2023-10-20 CN disclosed