SCHEMBL7953750

SCHEMBL7953750

CCOC(=O)CCC(O)C(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL10395011 0.83 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL17187632 0.82 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL5737722 0.81 L3MBTL1 (0.52) L3MBTL1KMT2APOLBCYP1A2GAA
Succinic Acid Diethyl Ester SCHEMBL4649219 0.81 GAA (0.52) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL22122792 0.80 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL640141 0.79 MGAM (0.46) CYP1A2GAAMGAMSIMGAM2
SCHEMBL8148446 0.79 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL6861005 0.79 L3MBTL1 (0.58) L3MBTL1KMT2APOLBCYP1A2GAA
Ammonia Solution, Strong SCHEMBL639260 0.78 MGAM (0.44) L3MBTL1CYP1A2GAAMGAMSI
SCHEMBL8154344 0.78 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed