SCHEMBL28335487

SCHEMBL28335487

CC(OCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.48
PTGS1 P23219 8/20 0.42
PTGS2 P35354 8/20 0.42
FAAH O00519 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
BLM P54132 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
WRN Q14191 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSP90AA1 P07900 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 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
SCHEMBL28354390 0.81 HSD17B10 (0.41) MGLLPTGS1PTGS2ALDH1A1HPGD
SCHEMBL3790254 0.80 MGLL (0.53) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL16426680 0.80 MGLL (0.57) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL22002013 0.80 MGLL (0.57) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL29993805 0.79 HPGD (0.43) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL20254041 0.78 MGLL (0.61) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL29239350 0.77 PTGS1 (0.39) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL8391712 0.77 MGLL (0.53) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL28344379 0.76 MGLL (0.44) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL4619178 0.74 MGLL (0.43) MGLLPTGS1PTGS2FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117801107-A Benzazepine derivatives, conjugates containing same and application thereof 上海迪诺医药科技有限公司 2024-04-02 CN disclosed
CN-109912683-B Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2023-01-06 CN disclosed
CN-115505029-A Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2022-12-23 CN disclosed
CN-109476699-B Glucocorticoid receptor agonists and immunoconjugates thereof 艾伯维公司 2021-10-12 CN disclosed
CN-112826940-A Conjugates of cytotoxic molecules and cell-binding receptor molecules 杭州多禧生物科技有限公司 2021-05-25 CN disclosed
CN-105641707-B Conjugates of cytotoxic molecules and cell-binding receptor molecules 杭州多禧生物科技有限公司 2020-11-24 CN disclosed
CN-110621673-A Double-stranded linked cytotoxic drug conjugates 杭州多禧生物科技有限公司 2019-12-27 CN disclosed