SCHEMBL20786103

SCHEMBL20786103

CC(C)COC(=O)CC[C@@H](C(N)=O)N1Cc2c(O)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ THRB P10828 2/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SDCBP O00560 1/20 0.31

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
SCHEMBL23866826 0.89 MEN1 (0.35) NPC1RAB9APLA2G1BATG4BMEN1
SCHEMBL2251395 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL2248688 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL29388571 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL29471925 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL17347665 0.87 MEN1 (0.36) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL19532862 0.86 NPC1 (0.34) NPC1RAB9AMEN1KMT2AALOX15
SCHEMBL19603302 0.85 ALOX15 (0.34) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL19603297 0.85 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AALOX15
SCHEMBL2250757 0.85 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AALOX15

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
WO-2019040109-A1 PROCESSES FOR PREPARATION OF (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE CELGENE CORPORATION (US) 2019-02-28 — — WO disclosed
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