SCHEMBL9832138

SCHEMBL9832138

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
ALDH1A1 P00352 5/20 0.52
CNR2 P34972 6/20 0.51
MME P08473 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
PSMB8 P28062 1/20 0.49
PSMB5 P28074 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 2/20 0.48
CNR1 P21554 1/20 0.48
MAPT P10636 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
SCHEMBL9832132 1.00 POLB (0.52) POLBALDH1A1CNR2MMEMEN1
SCHEMBL4412844 0.89 POLB (0.59) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL4412847 0.89 POLB (0.59) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL10432164 0.89 POLB (0.59) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL6428188 0.89 POLB (0.50) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL5967124 0.87 MEN1 (0.51) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL27528032 0.87 MEN1 (0.51) POLBALDH1A1CNR2MEN1CYP1A2
Alanine SCHEMBL1679645 0.84 POLB (0.54) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL15387515 0.83 MME (0.55) POLBALDH1A1CNR2MMEMEN1
SCHEMBL15387514 0.83 MME (0.55) POLBALDH1A1CNR2MMEMEN1

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