SCHEMBL29982227

SCHEMBL29982227

CC(NC(=O)CCCN1C(=O)C=CC1=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.44
▸ PTGS2 P35354 7/20 0.44
▸ MGLL Q99685 6/20 0.43
▸ FAAH O00519 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42

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
SCHEMBL22598434 0.90 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL26255045 0.90 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL25331601 0.87 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL24983429 0.87 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16006834 0.86 HRH1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL25792340 0.84 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL23652024 0.82 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17347452 0.82 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL31386658 0.82 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14660025 0.81 PTGS1 (0.58) PTGS1PTGS2MGLLFAAHALDH1A1

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-115181164-A Derivatives of amatoxins and their coupling to cell binding molecules 杭州多禧生物科技有限公司 2022-10-14 — — CN disclosed
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