SCHEMBL11027872

SCHEMBL11027872

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ADH1B P00325 3/20 0.38
ADH1C P00326 3/20 0.38
ADH1A P07327 3/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CNR1 P21554 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
HPGD P15428 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
SCHEMBL7060302 0.81 MGAM (0.41) ADH1BADH1CADH1AALDH1A1CNR1
SCHEMBL5527208 0.81 MGAM (0.41) ADH1BADH1CADH1AALDH1A1CNR1
SCHEMBL14412682 0.81 ADH1B (0.39) TSHRADH1BADH1CADH1ACNR1
SCHEMBL11028935 0.80 CA12 (0.38) ADH1BADH1CADH1AALDH1A1CNR1
SCHEMBL11028068 0.79 TSHR (0.41) TSHRADH1BADH1CADH1AALDH1A1
SCHEMBL3498479 0.78
SCHEMBL5638650 0.78
SCHEMBL8377024 0.78
SCHEMBL28327470 0.78 ADH1B (0.43) ADH1BADH1CADH1ASMN1; SMN2CNR1
SCHEMBL26129388 0.78 ADH1B (0.43) ADH1BADH1CADH1ASMN1; SMN2CNR1

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