SCHEMBL28575796

SCHEMBL28575796

COC(=O)C(C(C)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11929784 0.82 TP53 (0.48) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL17237483 0.82 TP53 (0.48) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL5839153 0.81 LMNA (0.60) POLBALDH1A1LMNASMN1; SMN2HTT
N Phthaloyl-L-Threonine SCHEMBL5424529 0.81 TP53 (0.56) TP53POLBALDH1A1LMNAHTT
SCHEMBL1808319 0.79 TP53 (0.45) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL11929781 0.79 TP53 (0.45) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL1810083 0.79 TP53 (0.45) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL1811054 0.79 TP53 (0.45) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL1812413 0.79 TP53 (0.45) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL28221986 0.78 POLB (0.48) TP53POLBALDH1A1LMNASMN1; SMN2

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
CN-112941043-B Carbonyl reductase mutant and application thereof in preparation of chiral beta' -hydroxy-beta-amino acid ester 中国科学院天津工业生物技术研究所 2021-09-10 CN disclosed
CN-112941043-B Carbonyl reductase mutant and application thereof in preparation of chiral beta' -hydroxy-beta-amino acid ester 中国科学院天津工业生物技术研究所 2021-09-10 CN disclosed
CN-112941043-A Carbonyl reductase mutant and application thereof in preparation of chiral beta' -hydroxy-beta-amino acid ester 中国科学院天津工业生物技术研究所 2021-06-11 CN disclosed
CN-112941043-A Carbonyl reductase mutant and application thereof in preparation of chiral beta' -hydroxy-beta-amino acid ester 中国科学院天津工业生物技术研究所 2021-06-11 CN disclosed