SCHEMBL28351724

SCHEMBL28351724

[N-]=[N+]=Nc1ccc(C=C2CC(C(=O)O)CCC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.41
▸ F10 P00742 3/20 0.41
▸ PTGS2 P35354 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ VCP P55072 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL15964849 0.85 F2 (0.56) F2F10HTTMAPTHPGD
SCHEMBL29910947 0.85 F2 (0.56) F2F10HTTMAPTHPGD
SCHEMBL27547767 0.81 NPC1 (0.38) PTGS2HTTMAPTHPGDALDH1A1
SCHEMBL30382045 0.80 F2 (0.51) F2F10HTTMAPTHPGD
SCHEMBL30383935 0.80 F2 (0.51) F2F10HTTMAPTHPGD
SCHEMBL29145325 0.78 MAPT (0.35) PTGS2HTTMAPTHPGDALDH1A1
SCHEMBL27641557 0.78 MAPT (0.36) PTGS2HTTMAPTHPGDALDH1A1
SCHEMBL16500277 0.74 AKR1C3 (0.53) F2F10PTGS2HTTMAPT
SCHEMBL20572299 0.74 AKR1C3 (0.53) F2F10PTGS2HTTMAPT
SCHEMBL28931175 0.74 SLC2A1 (0.35) MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694608-B Six-arm polyethylene glycol derivative, preparation method and modified biological related substance 厦门赛诺邦格生物科技股份有限公司 2024-07-02 — — CN disclosed
CN-115010915-B Nitrogen-branched nine-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance thereof 厦门赛诺邦格生物科技股份有限公司 2024-06-11 — — CN disclosed
CN-115010915-A Nitrogen branched nine-arm polyethylene glycol derivative, preparation method and biological related substance modified by nitrogen branched nine-arm polyethylene glycol derivative 厦门赛诺邦格生物科技股份有限公司 2022-09-06 — — CN disclosed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 — — CN disclosed
CN-112694608-A Six-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2021-04-23 — — CN disclosed
CN-110643032-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2020-01-03 — — CN disclosed
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