SCHEMBL28032035

SCHEMBL28032035

CCCCOC(=O)NC(Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ACE P12821 3/20 0.40
▸ ACE2 Q9BYF1 3/20 0.40
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ MME P08473 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CTSK P43235 2/20 0.39
▸ ITGB3 P05106 8/20 0.39
▸ ITGA2B P08514 8/20 0.39
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28332899 0.87 KMT2A (0.44) MEN1KMT2AACEACE2ITGB1
SCHEMBL28032572 0.87 KMT2A (0.44) MEN1KMT2AACEACE2ITGB1
SCHEMBL19514720 0.81 CTSS (0.56) MEN1KMT2AACEITGB1CTSK
SCHEMBL19514694 0.81 CTSS (0.56) MEN1KMT2AACEITGB1CTSK
SCHEMBL19514698 0.81 CTSS (0.56) MEN1KMT2AACEITGB1CTSK
SCHEMBL5089560 0.78 CTSK (0.45) ACEACE2ITGB1ITGA4TDP1
SCHEMBL5086244 0.78 CTSK (0.45) ACEACE2ITGB1ITGA4TDP1
SCHEMBL6268181 0.77 MME (0.57) ACEACE2ITGB1ITGA4MME
SCHEMBL27695165 0.77 ITGB3 (0.41) KMT2AACEACE2TDP1CTSK
SCHEMBL6187732 0.77 MME (0.57) ACEACE2ITGB1ITGA4MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106967213-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 2017-07-21 — — CN claimed
CN-104877127-B A kind of eight arms polyethyleneglycol derivative, preparation method and its bio-related substance of modification 厦门赛诺邦格生物科技股份有限公司 2017-11-10 — — CN disclosed
CN-106967213-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 2017-07-21 — — CN disclosed
CN-104877127-A Eight-armed polyethylene glycol derivative, preparation method and related biological substance modified by derivative XIAMEN SINOPEG BIOTECH CO LTD 2015-09-02 — — CN disclosed
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