SCHEMBL9829906

SCHEMBL9829906

Cc1ccc(COC(=O)NCCCCCC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
TGM2 P21980 2/20 0.53
FOLH1 Q04609 4/20 0.51
KMT2A Q03164 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL9830594 0.99 HTT (0.69) HTTTGM2FOLH1KMT2AHDAC3
SCHEMBL9830472 0.89 HTT (0.71) HTTTGM2FOLH1KMT2AHDAC3
SCHEMBL9829717 0.88 HTT (0.61) HTTTGM2FOLH1KMT2ALMNA
SCHEMBL2875581 0.87 HTT (0.88) HTTTGM2FOLH1KMT2AKEAP1
SCHEMBL125577 0.87 HTT (0.88) HTTTGM2FOLH1KMT2AKEAP1
SCHEMBL2876850 0.87 HTT (0.88) HTTTGM2FOLH1KMT2AKEAP1
SCHEMBL4858734 0.87 HTT (0.88) HTTTGM2FOLH1KMT2AKEAP1
SCHEMBL3287016 0.87 HTT (0.88) HTTTGM2FOLH1KMT2AKEAP1
SCHEMBL4857273 0.87 HTT (0.88) HTTTGM2FOLH1KMT2AKEAP1
SCHEMBL3693087 0.87 HTT (0.88) HTTTGM2FOLH1KMT2AKEAP1

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