SCHEMBL23957887

SCHEMBL23957887

C/C=C1\C=C(COC(C)=O)c2ccc(N(CC)CC)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MAOB P27338 4/20 0.35
MAPT P10636 7/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
ATM Q13315 3/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 3/20 0.33
POLB P06746 1/20 0.33
SLC16A3 O15427 1/20 0.33

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
SCHEMBL23915960 0.84 CA12 (0.38) CA12CA9MAOBMAPTKMT2A
SCHEMBL23957878 0.80 CA12 (0.35) CA12CA9MAOBMAPTKMT2A
SCHEMBL23957884 0.78 KMT2A (0.35) CA12CA9MAOBMAPTKMT2A
SCHEMBL25140741 0.66 CA12 (0.33) CA12CA9
SCHEMBL7801115 0.63 MAOB (0.49) CA12CA9MAOBMAPTKMT2A
SCHEMBL7802423 0.63 MAOB (0.49) CA12CA9MAOBMAPTKMT2A
SCHEMBL7801117 0.63 MAOB (0.49) CA12CA9MAOBMAPTKMT2A
SCHEMBL9009797 0.62 MAPT (0.48) CA12CA9MAOBMAPTKMT2A
SCHEMBL24860265 0.62 S100B (0.36) CA12CA9MAOBMAPTKMT2A
SCHEMBL24710860 0.62 ALDH1A1 (0.44) CA12CA9MAOBMAPTKMT2A

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
WO-2021213089-A1 A CONTROLLED DRUG RELEASE SYSTEM OF PHOTORESPONSIVE NANOCARRIERS, METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG (CN) 2021-10-28 WO disclosed