SCHEMBL27939874

SCHEMBL27939874

NC(=O)CCC(=O)NOC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.38
▸ PTGS2 P35354 7/20 0.38
▸ MGLL Q99685 6/20 0.36
▸ FAAH O00519 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ WRN Q14191 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL1827739 0.89 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13286345 0.79 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17395992 0.78 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL255340 0.78 MGLL (0.52) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL6761894 0.77 PTGS1 (0.63) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL28172522 0.76 TSHR (0.36) ALDH1A1HPGDLMNAMAPT
SCHEMBL28327297 0.76 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL31038302 0.75 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14128923 0.74 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL21727832 0.74 PTGS1 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103623430-A Preparation method and application of targeted co-supported drug delivery system nano-particles based on polylactic-co-glycolic acid UNIV ZHENGZHOU 2014-03-12 — — CN claimed
CN-108473505-B Polyfluoreno [4,5-cde ] oxepine conjugates and their use in analyte detection methods 阿特生物探索公司 2019-11-05 — — CN disclosed
CN-104140457-A Tumor cell targeting penetrating peptide ZHEJIANG REACHALL PHARMACEUTICAL CO LTD 2014-11-12 — — CN disclosed
CN-103897032-A Novel cell-penetrating peptide ZHEJIANG REACHALL PHARMACEUTICAL CO LTD 2014-07-02 — — CN disclosed
CN-103623430-A Preparation method and application of targeted co-supported drug delivery system nano-particles based on polylactic-co-glycolic acid UNIV ZHENGZHOU 2014-03-12 — — CN disclosed
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