SCHEMBL9829561

SCHEMBL9829561

CC(NC(=O)C1CCCCC1)C(=O)NC(C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSMB5 P28074 1/20 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
SCHEMBL9829569 1.00 CYP3A4 (0.48) CYP3A4TSHRMAPK1HPGDPOLB
SCHEMBL9831740 0.83 SMN1; SMN2 (0.50) CYP3A4TSHRMAPK1HPGDPOLB
SCHEMBL9831734 0.83 SMN1; SMN2 (0.50) CYP3A4TSHRMAPK1HPGDPOLB
SCHEMBL9830617 0.76 PSMB5 (0.51) CYP3A4TSHRMAPK1HPGDSMN1; SMN2
SCHEMBL9830628 0.76 PSMB5 (0.51) CYP3A4TSHRMAPK1HPGDSMN1; SMN2
SCHEMBL7898085 0.76 TSHR (0.56) CYP3A4TSHRMAPK1HPGDPOLB
SCHEMBL9830280 0.75 TSHR (0.54) CYP3A4TSHRMAPK1HPGDPOLB
SCHEMBL9830268 0.75 TSHR (0.54) CYP3A4TSHRMAPK1HPGDPOLB
SCHEMBL21261769 0.73 LMNA (0.52) POLBSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9828504 0.73 TSHR (0.52) CYP3A4TSHRMAPK1HPGDPOLB

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