SCHEMBL28031978

SCHEMBL28031978

COc1ccc(C(N)(NC(=O)COc2ccccc2)C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 4/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8752790 0.81 NPC1 (0.41) NPC1RAB9AHPGDFABP5KMT2A
SCHEMBL20973955 0.80 NPC1 (0.40) NPC1RAB9AHPGDGAAFABP5
SCHEMBL27082137 0.80 NPC1 (0.40) NPC1RAB9AHPGDGAAFABP5
SCHEMBL28191790 0.80 NPC1 (0.39) NPC1RAB9AHPGDGAAFABP5
SCHEMBL28069714 0.80 FABP5 (0.45) NPC1RAB9AHPGDFABP5KMT2A
SCHEMBL29521535 0.78 MEN1 (0.49) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL30679137 0.78 NPC1 (0.44) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL29385536 0.78 KMT2A (0.43) NPC1RAB9AHPGDFABP5KMT2A
SCHEMBL31194380 0.77 MDM2 (0.40) NPC1RAB9AFABP5KMT2AMEN1
SCHEMBL3485726 0.75 FABP5 (0.41) NPC1RAB9AGAAFABP5KMT2A

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-102796179-B There is the peptide mimics that the template of antimicrobial acivity is fixing POLYPHOR LTD. (CH) 2015-09-02 — — CN disclosed
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