SCHEMBL20040443

SCHEMBL20040443

O=C=Nc1ccc(C(=O)OCC(=O)NCCCCNC(=O)COC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL15006372 0.99 NPC1 (0.50) NPC1RAB9ALMNAKDM4EKMT2A
SCHEMBL15259411 0.87 ALB (0.42) NPC1RAB9ALMNAKDM4EKMT2A
SCHEMBL22130749 0.87 NPC1 (0.40) NPC1RAB9ALMNAKDM4EKMT2A
SCHEMBL15006373 0.84 KMT2A (0.40) NPC1RAB9ALMNAKDM4EKMT2A
SCHEMBL19771690 0.83 KMT2A (0.44) NPC1RAB9ALMNAKDM4EKMT2A
SCHEMBL20040345 0.81 KMT2A (0.38) NPC1RAB9ALMNAKDM4EKMT2A
SCHEMBL2350932 0.78 ALDH1A1 (0.44) NPC1RAB9AMAPTHPGD
SCHEMBL11926962 0.78 LMNA (0.37) NPC1RAB9ALMNAKDM4EKMT2A
SCHEMBL9751347 0.77 TDP1 (0.55) NPC1RAB9ALMNAMAPTHPGD
SCHEMBL13611354 0.77 PRSS1 (0.47) NPC1RAB9ALMNAKDM4EMAPT

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
EP-2673259-B1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-04-11 — — EP disclosed
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