SCHEMBL9829404

SCHEMBL9829404

CC[C@H](C)[C@H](NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.49
XIAP P98170 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9829399 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1POLBTP53XIAP
SCHEMBL8829934 0.98 L3MBTL1 (0.56) L3MBTL1ALDH1A1POLBTP53XIAP
SCHEMBL9829897 0.98 L3MBTL1 (0.56) L3MBTL1ALDH1A1POLBTP53XIAP
SCHEMBL9831322 0.82 SMN1; SMN2 (0.59) ALDH1A1POLBTP53KMT2ARECQL
SCHEMBL7899963 0.82 SMN1; SMN2 (0.59) ALDH1A1POLBTP53KMT2ARECQL
SCHEMBL9829571 0.81 SMN1; SMN2 (0.57) ALDH1A1TP53KMT2ARECQLLMNA
SCHEMBL7890180 0.81 SMN1; SMN2 (0.57) ALDH1A1TP53KMT2ARECQLLMNA
SCHEMBL6429877 0.80 L3MBTL1 (0.46) L3MBTL1ALDH1A1POLBTP53XIAP
SCHEMBL6139318 0.79 SMN1; SMN2 (0.46) ALDH1A1POLBTP53KMT2ARECQL
SCHEMBL10809127 0.79 TP53 (0.48) ALDH1A1POLBTP53KMT2ARECQL

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 4 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
US-4745124-A THIO/ESTER PEPTIDES UNIVERSITY OF MIAMI (US) 1988-05-17 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed