SCHEMBL29138629

SCHEMBL29138629

O=C(O)c1cccc(Oc2ccc3ccccc3c2C(=O)O)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
CDC25B P30305 3/20 0.53
WDR5 P61964 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LDHA P00338 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 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
SCHEMBL9617692 0.89 ALDH1A1 (0.50) NR4A1NR4A2NR4A3CDC25BWDR5
SCHEMBL3317320 0.87 ALDH1A1 (0.55) NR4A1NR4A2NR4A3CDC25BWDR5
SCHEMBL914280 0.87 ALDH1A1 (0.55) NR4A1NR4A2NR4A3CDC25BWDR5
SCHEMBL9577460 0.86 WDR5 (0.53) NR4A1NR4A2NR4A3CDC25BWDR5
SCHEMBL6003587 0.84 HTT (0.59) NR4A1NR4A2NR4A3KMT2ALMNA
SCHEMBL143861 0.83 HTT (0.53) NR4A1NR4A2NR4A3KMT2AKDM4E
SCHEMBL29395127 0.83 HTT (0.53) NR4A1NR4A2NR4A3KMT2AKDM4E
SCHEMBL30874084 0.83 WDR5 (0.51) NR4A1NR4A2NR4A3CDC25BWDR5
SCHEMBL28260571 0.82 HTT (0.62) KMT2AMEN1LMNAKDM4EALDH1A1
Water SCHEMBL7618236 0.82 HTT (0.52) NR4A1NR4A2NR4A3KMT2AKDM4E

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-117247532-A Synthesis process of polypropylene carbonate 元嘉生物科技(广东)有限公司 2023-12-19 CN claimed
CN-117247532-A Synthesis process of polypropylene carbonate 元嘉生物科技(广东)有限公司 2023-12-19 CN disclosed