SCHEMBL9828894

SCHEMBL9828894

CCCCC(NC(=O)C(CC)c1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.63
POLB P06746 2/20 0.52
KCNQ2 O43526 2/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
KDM4A O75164 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR88 Q9GZN0 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL9828899 1.00 MME (0.63) MMEPOLBKCNQ2ACECPA1
SCHEMBL9831283 0.91 MME (0.61) MMEPOLBKCNQ2KDM4AMAPT
SCHEMBL9831290 0.91 MME (0.61) MMEPOLBKCNQ2KDM4AMAPT
SCHEMBL9825139 0.90 MME (0.65) MMEPOLBACECPA1ACE2
SCHEMBL1449796 0.87 KCNQ2 (0.55) MMEPOLBKCNQ2KDM4AMAPT
SCHEMBL6787370 0.85 MME (0.66) MMEPOLBACECPA1ACE2
SCHEMBL2330325 0.85 MME (0.49) MMEPOLBKCNQ2KDM4AMAPT
SCHEMBL402068 0.83 KMT2A (0.53) MMEPOLBKCNQ2KDM4AMAPT
SCHEMBL2330908 0.83 LTA4H (0.54) KCNQ2MAPTALDH1A1
SCHEMBL2330911 0.83 LTA4H (0.54) KCNQ2MAPTALDH1A1

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