SCHEMBL29690359

SCHEMBL29690359

COC(=O)c1ccc(OB(O)O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
MAPT P10636 6/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 5/20 0.47
NOTUM Q6P988 1/20 0.46
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL1899655 1.00 MGLL (0.49) MGLLMAPTCA1CA2CA12
SCHEMBL1899654 0.88 MAPT (0.50) MGLLMAPTCA1CA2CA12
SCHEMBL7979582 0.83 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL35861 0.82 MAPT (0.64) MGLLMAPTCA1CA2CA12
SCHEMBL28078717 0.82 LMNA (0.50) MAPTCA1CA2CA12CA7
SCHEMBL27898472 0.82 KMT2A (0.52) MAPTCA1CA2CA12CA7
SCHEMBL27840247 0.82 USP2 (0.61) MAPTCA1CA2CA12CA7
Hydrochloric Acid SCHEMBL27839554 0.81 USP2 (0.60) MAPTCA1CA2CA12CA7
SCHEMBL14933935 0.79 NOTUM (0.58) MGLLMAPTCA1CA2CA12
SCHEMBL28230672 0.79 NOTUM (0.48) MAPTCA1CA2CA12CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114675458-A High-performance hydrogen bond organic framework material electrochromic device 辽宁大学 2022-06-28 CN claimed
CN-114675458-A High-performance hydrogen bond organic framework material electrochromic device 辽宁大学 2022-06-28 CN disclosed