SCHEMBL3633114

SCHEMBL3633114

COP(=O)(NCC(=O)O)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.33
CTH P32929 1/20 0.33
APEX1 P27695 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 2/20 0.31
LDHA P00338 1/20 0.30
SRR Q9GZT4 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
SCHEMBL1124217 0.81 TSHR (0.42) L3MBTL1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL27457306 0.79 EGLN1 (0.40) EGLN1TSHRCTHAPEX1ALDH1A1
SCHEMBL10583654 0.74 GAA (0.48) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6925210 0.72
SCHEMBL17848859 0.71 CYP3A4 (0.47) TSHRALDH1A1LMNA
SCHEMBL13575632 0.71 L3MBTL1 (0.36) L3MBTL1
SCHEMBL531168 0.69
SCHEMBL19525797 0.69
SCHEMBL11696223 0.68 EGLN1 (0.39) EGLN1TSHRCTHAPEX1ALDH1A1
Phosphoric Acid SCHEMBL28972551 0.67 LMNA (0.39) EGLN1TSHRCTHAPEX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed
CN-1130404-A Improved method of preparing glyoxylic acid/amino methy/phosphonic acid mixture using microbial double-transformant DU PONT (US) 1996-09-04 CN disclosed