SCHEMBL9828504

SCHEMBL9828504

CC(C)[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
LTA4H P09960 1/20 0.45
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.42
CCR1 P32246 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9828500 1.00 TSHR (0.52) TSHRMAPK1HPGDSMN1; SMN2CYP2C19
SCHEMBL9830280 0.98 TSHR (0.54) TSHRMAPK1HPGDSMN1; SMN2CYP2C19
SCHEMBL9830268 0.98 TSHR (0.54) TSHRMAPK1HPGDSMN1; SMN2CYP2C19
SCHEMBL7898085 0.87 TSHR (0.56) TSHRMAPK1HPGDSMN1; SMN2CYP2C19
SCHEMBL7899963 0.84 SMN1; SMN2 (0.59) TSHRMAPK1HPGDSMN1; SMN2CYP2C19
SCHEMBL9831322 0.84 SMN1; SMN2 (0.59) TSHRMAPK1HPGDSMN1; SMN2CYP2C19
SCHEMBL5901288 0.84 RECQL (0.50) HPGDSMN1; SMN2LTA4HPOLBRECQL
SCHEMBL6288389 0.84 RECQL (0.50) HPGDSMN1; SMN2LTA4HPOLBRECQL
SCHEMBL9829571 0.83 SMN1; SMN2 (0.57) TSHRMAPK1HPGDSMN1; SMN2CYP2C19
SCHEMBL7890180 0.83 SMN1; SMN2 (0.57) TSHRMAPK1HPGDSMN1; SMN2CYP2C19

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