SCHEMBL11028935

SCHEMBL11028935

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 3/20 0.37
PKM P14618 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
ADH1B P00325 2/20 0.34
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
SLC22A1 O15245 1/20 0.34
CNR1 P21554 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34

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
SCHEMBL23044882 0.82 HCAR2 (0.38) TDP1MAPK1LMNAALDH1A1KDM4E
SCHEMBL11026074 0.82 HCAR2 (0.38) TDP1MAPK1LMNAALDH1A1KDM4E
SCHEMBL11027872 0.80 TSHR (0.45) MAPK1HSD17B10ALDH1A1KDM4EADH1B
SCHEMBL17287125 0.79 ATM (0.47) ALDH1A1ADH1BADH1CADH1ACNR1
SCHEMBL6826471 0.79 ATM (0.47) ALDH1A1ADH1BADH1CADH1ACNR1
SCHEMBL6826472 0.79 ATM (0.47) ALDH1A1ADH1BADH1CADH1ACNR1
SCHEMBL5527208 0.78 MGAM (0.41) PKMHSD17B10LMNAALDH1A1GAA
SCHEMBL7060302 0.78 MGAM (0.41) PKMHSD17B10LMNAALDH1A1GAA
SCHEMBL14412682 0.78 ADH1B (0.39) KMT2AADH1BADH1CADH1ACNR1
SCHEMBL16390280 0.77 ABCB11 (0.34) CA12CA1CA2CA9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080119-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-AMINO-ACID ESTERS BASF Aktiengesellschaft (DE) 1985-06-19 EP disclosed
EP-0080119-A1 Process for the preparation of N-formyl-alpha-amino-acid esters BASF Aktiengesellschaft (DE) 1983-06-01 EP disclosed