SCHEMBL9831290

SCHEMBL9831290

CCC[C@H](NC(=O)C(CC)c1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.61
KCNQ2 O43526 2/20 0.52
MAPT P10636 1/20 0.52
GPR88 Q9GZN0 2/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4A O75164 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL9831283 1.00 MME (0.61) MMEKCNQ2MAPTGPR88POLB
SCHEMBL9828894 0.91 MME (0.63) MMEKCNQ2MAPTGPR88POLB
SCHEMBL9828899 0.91 MME (0.63) MMEKCNQ2MAPTGPR88POLB
SCHEMBL1449796 0.90 KCNQ2 (0.55) MMEKCNQ2MAPTGPR88POLB
SCHEMBL4066768 0.90 MME (0.60) MMEKCNQ2MAPTGPR88POLB
SCHEMBL2330325 0.88 MME (0.49) MMEKCNQ2MAPTGPR88POLB
SCHEMBL2330908 0.86 LTA4H (0.54) KCNQ2MAPTALDH1A1
SCHEMBL2330911 0.86 LTA4H (0.54) KCNQ2MAPTALDH1A1
SCHEMBL402068 0.86 KMT2A (0.53) MMEKCNQ2MAPTPOLBALDH1A1
SCHEMBL4268528 0.84 MME (0.61) MMEKCNQ2MAPTPOLBALDH1A1

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