SCHEMBL11036766

SCHEMBL11036766

C=CCOC(=O)[C@@H](N)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 3/20 0.38
MAPT P10636 3/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
SNCA P37840 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL5135717 1.00 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL1162237 1.00 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL2521938 1.00 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL1162236 1.00 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL7952400 0.98 TDP1 (0.41) TDP1TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL7952403 0.98 TDP1 (0.41) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL2730560 0.86 TDP1 (0.43) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL2519765 0.86 TDP1 (0.43) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL1110727 0.83
SCHEMBL28496420 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085083-B1 PROCESS FOR THE ENZYMATIC PREPARATION OF HUMAN INSULIN NORDISK INSULINLABORATORIUM (DK) 1985-01-23 EP claimed
WO-1984003107-A1 A PROCESS FOR THE PREPARATION OF HUMAN INSULIN NORDISK INSULINLAB (DK) 1984-08-16 WO claimed
EP-0085083-A1 Process for the enzymatic preparation of human insulin. NORDISK INSULINLAB (DK) 1983-08-10 EP claimed
WO-1983000504-A1 ENZYMATIC PREPARATION OF HUMAN INSULIN ANDRESEN, FINN, HEDE 1983-02-17 WO claimed
EP-0085083-B1 PROCESS FOR THE ENZYMATIC PREPARATION OF HUMAN INSULIN NORDISK INSULINLABORATORIUM (DK) 1985-01-23 EP disclosed
EP-0085083-B1 PROCESS FOR THE ENZYMATIC PREPARATION OF HUMAN INSULIN NORDISK INSULINLABORATORIUM (DK) 1985-01-23 EP disclosed
WO-1984003107-A1 A PROCESS FOR THE PREPARATION OF HUMAN INSULIN NORDISK INSULINLAB (DK) 1984-08-16 WO disclosed
WO-1984003107-A1 A PROCESS FOR THE PREPARATION OF HUMAN INSULIN NORDISK INSULINLAB (DK) 1984-08-16 WO disclosed
EP-0085083-A1 Process for the enzymatic preparation of human insulin. NORDISK INSULINLAB (DK) 1983-08-10 EP disclosed
EP-0085083-A1 Process for the enzymatic preparation of human insulin. NORDISK INSULINLAB (DK) 1983-08-10 EP disclosed
WO-1983000504-A1 ENZYMATIC PREPARATION OF HUMAN INSULIN ANDRESEN, FINN, HEDE 1983-02-17 WO disclosed
WO-1983000504-A1 ENZYMATIC PREPARATION OF HUMAN INSULIN ANDRESEN, FINN, HEDE 1983-02-17 WO disclosed