SCHEMBL9830746

SCHEMBL9830746

CSCCC(C)(NC(=O)c1ccc(O)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
MPO P05164 1/20 0.41
KDM5A P29375 1/20 0.41
GFER P55789 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
ESRRG P62508 5/20 0.40
ESRRB O95718 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL9830749 1.00 NPC1 (0.44) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL9829639 0.88 POLB (0.50) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL9829642 0.88 POLB (0.50) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL2789685 0.79 HCAR2 (0.36) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL28919652 0.73 BLM (0.48) HPGDSMN1; SMN2MAPK1CYP3A4BLM
SCHEMBL5580940 0.72 BLM (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPK1
SCHEMBL5580942 0.72 BLM (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPK1
SCHEMBL24534558 0.72 HDAC1 (0.50) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL12471403 0.71 POLB (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1POLB
SCHEMBL162828 0.70 TSHR (0.54) SMN1; SMN2CYP3A4BLMMPOKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed