SCHEMBL26569822

SCHEMBL26569822

COC(=O)c1ccc(C(=O)OCC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MAPT P10636 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
TSHR P16473 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL3669896 0.92 MAPK1 (0.55) CA1CA2TDP1CA12CA7
SCHEMBL10533931 0.86 MAPK1 (0.50) CA1CA2TDP1CA12CA7
SCHEMBL12306243 0.85 TDP1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL3453675 0.85 MAPK1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL18652233 0.85 MAPK1 (0.64) CA1CA2TDP1CA12CA7
Terephthalic Acid SCHEMBL2442144 0.85 MAPK1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL21562135 0.84 MAPT (0.49) CA1CA2TDP1CA12CA7
SCHEMBL14169737 0.83 ALDH1A1 (0.52) CA1CA2TDP1CA12CA7
SCHEMBL9068667 0.83 LMNA (0.65) CA1CA2TDP1CA12CA7
SCHEMBL811551 0.83 GAA (0.53) CA1CA2TDP1CA12CA7

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
US-20230331909-A1 MULTIMODAL POLYALKYLENE TEREPHTHALATE SYSTEM OCTAL, INC. 2023-10-19 US disclosed