SCHEMBL9281561

SCHEMBL9281561

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL6896191 0.88 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL11625761 0.88 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL23130411 0.83 L3MBTL1 (0.39) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL28741373 0.80 CYP3A4 (0.30) TSHRLMNACYP3A4HIF1AHSD17B10
SCHEMBL2947636 0.79 MEN1 (0.34) KMT2AGAATSHRLMNACYP3A4
SCHEMBL30605957 0.78 GABRP (0.38) L3MBTL1KMT2APOLBCYP1A2ALDH1A1
SCHEMBL6101629 0.76 CHRM1 (0.44) TSHRLMNACYP3A4HIF1AHSD17B10
SCHEMBL1603824 0.76 LMNA (0.53) CYP1A2TSHRLMNACYP3A4HIF1A
SCHEMBL6204910 0.76 LMNA (0.53) CYP1A2TSHRLMNACYP3A4HIF1A
SCHEMBL11155839 0.75 CYP3A4 (0.35) TSHRLMNACYP3A4HIF1AHSD17B10

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-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed