SCHEMBL30986864

SCHEMBL30986864

CCCCCCCCC(CCCCCC)COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.56
▸ BCL9 O00512 1/20 0.51
▸ CTNNB1 P35222 1/20 0.51
▸ MAPT P10636 4/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL31258933 0.91 MGLL (0.52) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL9846636 0.90 BCL9 (0.56) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL31258971 0.86 MAPT (0.47) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL31259013 0.86 MAPT (0.48) MGLLBCL9CTNNB1MAPTFAAH
SCHEMBL22749537 0.85 MAPT (0.49) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL22749460 0.85 MAPT (0.49) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL11890609 0.85 MAPT (0.52) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL31258988 0.85 MAPT (0.47) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL22749744 0.84 MAPT (0.46) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL22749516 0.84 MAPT (0.48) MGLLBCL9CTNNB1MAPTHTR2A

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
CN-118125947-A Low-toxicity spleen-targeted cationic lipid compound containing carbamate structure, composition containing low-toxicity spleen-targeted cationic lipid compound and application of low-toxicity spleen-targeted cationic lipid compound 北京悦康科创医药科技股份有限公司 2024-06-04 — — CN disclosed
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