SCHEMBL9830972

SCHEMBL9830972

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.48
GPR139 Q6DWJ6 3/20 0.45
HPGD P15428 2/20 0.43
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
MMP3 P08254 1/20 0.41
MME P08473 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL9830965 1.00 CTSB (0.48) CTSBGPR139HPGDPLK1ALDH1A1
SCHEMBL9829668 0.92 GPR139 (0.49) GPR139HPGDPLK1ALDH1A1MEN1
SCHEMBL9829673 0.92 GPR139 (0.49) GPR139HPGDPLK1ALDH1A1MEN1
SCHEMBL9828116 0.87 PLK1 (0.50) CTSBHPGDPLK1ALDH1A1HDAC8
SCHEMBL9828124 0.87 PLK1 (0.50) CTSBHPGDPLK1ALDH1A1HDAC8
SCHEMBL9831837 0.82 GPR139 (0.59) GPR139ALDH1A1MEN1KMT2AMME
SCHEMBL9831842 0.82 GPR139 (0.59) GPR139ALDH1A1MEN1KMT2AMME
SCHEMBL25388151 0.80 PLK1 (0.57) HPGDPLK1ALDH1A1MEN1KMT2A
SCHEMBL735538 0.80 PLK1 (0.57) HPGDPLK1ALDH1A1MEN1KMT2A
SCHEMBL25386182 0.80 PLK1 (0.57) HPGDPLK1ALDH1A1MEN1KMT2A

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