SCHEMBL8049753

SCHEMBL8049753

C[C@@H](O)[C@@H](CNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 2/20 0.52
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GPR139 Q6DWJ6 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ITGAV P06756 4/20 0.47
BACE1 P56817 1/20 0.47
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NAAA Q02083 1/20 0.45

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
SCHEMBL9134968 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL9135196 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL2325056 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL2319510 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1143640 0.86 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL12082412 0.86 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL3655886 0.86 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL15492571 0.86 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1143015 0.86 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1143555 0.86 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2GAAKMT2A

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-1008590-A1 Process for preparing optically active oxazolidinone derivative Takasago International Corporation (JP) 2000-06-14 EP disclosed