SCHEMBL8829934

SCHEMBL8829934

CC[C@H](C)[C@H](NC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.48
XIAP P98170 1/20 0.46
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
EPHX1 P07099 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9829897 1.00 L3MBTL1 (0.56) L3MBTL1ALDH1A1POLBTP53XIAP
SCHEMBL9829399 0.98 L3MBTL1 (0.58) L3MBTL1ALDH1A1POLBTP53XIAP
SCHEMBL9829404 0.98 L3MBTL1 (0.58) L3MBTL1ALDH1A1POLBTP53XIAP
SCHEMBL7890180 0.83 SMN1; SMN2 (0.57) ALDH1A1TP53KMT2AHPGDTSHR
SCHEMBL9829571 0.83 SMN1; SMN2 (0.57) ALDH1A1TP53KMT2AHPGDTSHR
SCHEMBL6139322 0.81 SMN1; SMN2 (0.46) ALDH1A1POLBTP53KMT2AHPGD
SCHEMBL10809127 0.81 TP53 (0.48) ALDH1A1POLBTP53KMT2AHPGD
SCHEMBL6139318 0.81 SMN1; SMN2 (0.46) ALDH1A1POLBTP53KMT2AHPGD
SCHEMBL7899963 0.81 SMN1; SMN2 (0.59) ALDH1A1POLBTP53KMT2AHPGD
SCHEMBL9831322 0.81 SMN1; SMN2 (0.59) ALDH1A1POLBTP53KMT2AHPGD

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
US-5629020-A Modified amino acids for drug delivery EMISPHERE TECHNOLOGIES, INC. (US) 1997-05-13 US disclosed
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