SCHEMBL8581978

SCHEMBL8581978

CC(C)OC(=O)C[C@H](NO)C(=O)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PRKCA P17252 1/20 0.33
CYP2D6 P10635 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
BIRC2 Q13490 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9159179 1.00 LMNA (0.37) LMNATSHRMAPTMMP1MMP2
SCHEMBL15257967 0.82 LMNA (0.36) LMNATSHRMAPTMMP1MMP2
SCHEMBL25504659 0.82 LMNA (0.36) LMNATSHRMAPTMMP1MMP2
SCHEMBL25475988 0.81 LMNA (0.39) LMNATSHRMAPTMMP1MMP2
SCHEMBL468693 0.81 ALDH1A1 (0.40) LMNATSHRMAPTMMP1MMP2
SCHEMBL468692 0.81 ALDH1A1 (0.40) LMNATSHRMAPTMMP1MMP2
SCHEMBL9683613 0.75 LMNA (0.32) LMNATSHRMAPT
SCHEMBL9683610 0.75 LMNA (0.32) LMNATSHRMAPT
SCHEMBL8980135 0.74 LMNA (0.42) LMNATSHRMAPTMMP1MMP2
SCHEMBL27667290 0.74 LMNA (0.42) LMNATSHRMAPTMMP1MMP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405987-A N-hydroxyaspartic acid derivatives; chemical intermediates HOECHST CELANESE CORPORATION (US) 1995-04-11 US claimed
EP-0511446-A2 Process for preparing pyridinecarboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1992-11-04 EP claimed
CN-1058205-A The method for preparing pyridine and quinoline HOECHST CELANESE CORP (US) 1992-01-29 CN claimed
EP-0452094-A2 A method of the preparation of N-hydroxy aspartic acid derivate HOECHST CELANESE CORPORATION (US) 1991-10-16 EP claimed
US-5808067-A Process for preparing pyridine and quinoline derivatives HOECHST CELANESE CORPORATION (US) 1998-09-15 US disclosed
US-5405987-A N-hydroxyaspartic acid derivatives; chemical intermediates HOECHST CELANESE CORPORATION (US) 1995-04-11 US disclosed
US-5322948-A Reacting unsaturated diacid or derivative with hydroxylamine or a salt thereof to form N-hydroxy-2-aminobutane diacid derivative HOECHST CELANESE CORPORATION (US) 1994-06-21 US disclosed
EP-0511446-A2 Process for preparing pyridinecarboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1992-11-04 EP disclosed
CN-1058205-A The method for preparing pyridine and quinoline HOECHST CELANESE CORP (US) 1992-01-29 CN disclosed
EP-0452094-A2 A method of the preparation of N-hydroxy aspartic acid derivate HOECHST CELANESE CORPORATION (US) 1991-10-16 EP disclosed