SCHEMBL8535984

SCHEMBL8535984

O=C1C[C@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.45
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL6440411 1.00 NPC1 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL6438945 0.89 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL8533641 0.84 NPC1 (0.57) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL22174730 0.84 HTR2C (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL23626287 0.82 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL7423807 0.82 NPC1 (0.64) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL7423800 0.82 NPC1 (0.64) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL13208710 0.82 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL13208713 0.82 NPC1 (0.44) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL28743011 0.80 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474243-B1 1-Methylcarbapenem derivatives and process for preparation thereof TANABE SEIYAKU CO (JP) 1998-04-01 EP disclosed
CN-1033455-C 1-methylcarbapenem derivatives and process for preparation thereof TANABE SEIYAKU CO (JP) 1996-12-04 CN disclosed
US-5208348-A Intermediates for thienamycin derivatives TANABE SEIYAKU CO., LTD. (JP) 1993-05-04 US disclosed
US-5153187-A Microbiocides having stability against dehydropeptidase and high absorrbability by oral administration TANABE SEIYAKU CO., LTD. (JP) 1992-10-06 US disclosed
CN-1060093-A 1-methylcarbapenem derivatives and preparation method thereof TANABE SEIYAKU CO (JP) 1992-04-08 CN disclosed
EP-0474243-A1 1-Methylcarbapenem derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-03-11 EP disclosed