SCHEMBL28052241

SCHEMBL28052241

CC(C)(C)OC(=O)NCCC(N)(C(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.39
▸ PNMT P11086 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ KCNA5 P22460 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ HTR7 P34969 1/20 0.33

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
SCHEMBL27931294 0.94 NQO2 (0.38) NQO2PNMTMALT1IDO1SIGMAR1
SCHEMBL31206830 0.85 PNMT (0.39) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28052119 0.84 PNMT (0.48) PNMTNPC1RAB9ADRD2HTR7
SCHEMBL5557639 0.84 NQO2 (0.46) NQO2PNMTMALT1IDO1KCNA5
SCHEMBL28231581 0.82 PNMT (0.39) PNMTNPC1RAB9ADRD2HTR7
SCHEMBL443309 0.82 PNMT (0.42) PNMTNPC1RAB9ADRD2HTR7
SCHEMBL27931504 0.81 PNMT (0.41) PNMTNPC1RAB9ADRD2HTR7
SCHEMBL28049468 0.80 PNMT (0.41) PNMTNPC1RAB9ADRD2HTR7
SCHEMBL29714037 0.80 TGM2 (0.41) NQO2MALT1KCNA5SYK
SCHEMBL28298816 0.80 PNMT (0.45) PNMTNPC1RAB9ADRD2HTR7

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-105348147-A Synthetic method of Fmoc-Dab(Boc)-OH SHANGHAI GL POLYPEPTIDE CO LTD 2016-02-24 — — CN disclosed
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