SCHEMBL28668593

SCHEMBL28668593

CCCCCCCCCCCC(C)CCC(=O)Oc1ccc(O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA2 P00918 3/20 0.42
APP P05067 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
ALOX15 P16050 1/20 0.40
CNR2 P34972 2/20 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
SCHEMBL28663941 1.00 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28664038 1.00 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28665446 0.87 ESR1 (0.43) ACE2ALOX15
SCHEMBL28929243 0.87 ESR1 (0.43) ACE2ALOX15
SCHEMBL22471825 0.86 GAA (0.44) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28672832 0.86 GAA (0.44) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL22471831 0.85 KMT2A (0.53) CA2APPKMT2ASMN1; SMN2TRPV1
SCHEMBL22471807 0.85 KMT2A (0.53) CA2APPKMT2ASMN1; SMN2TRPV1
SCHEMBL22471860 0.85 KMT2A (0.53) CA2APPKMT2ASMN1; SMN2TRPV1
SCHEMBL28663944 0.85 KMT2A (0.53) CA2APPKMT2ASMN1; SMN2TRPV1

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-113767159-A Reversible thermochromic microcapsule pigments 百乐墨水株式会社 2021-12-07 CN disclosed