SCHEMBL2648604

SCHEMBL2648604

CCOC(=O)CCc1ccc(C2OCCO2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDYL Q9Y232 1/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.41
DGAT2 Q96PD7 1/20 0.39
GSK3B P49841 1/20 0.38
POLB P06746 1/20 0.38
TOP2A P11388 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2435255 0.76 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL2302173 0.74 CYP4F2 (0.69) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL12035852 0.74 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL2650308 0.73 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL2664362 0.72 NPC1 (0.42) CYP3A4CYP2C9CYP2C19LMNAKDM4E
SCHEMBL2651047 0.72 NPC1 (0.42) CYP3A4CYP2C9CYP2C19LMNAKDM4E
SCHEMBL69660 0.72 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL21350641 0.71 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL27674003 0.70 CYP4F2 (0.65) CYP4F2CYP4A11ALDH1A1CYP1A2CYP3A4
SCHEMBL22098182 0.70 CYP4F2 (1.00) CYP4F2CYP4A11ALDH1A1GAACYP1A2

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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed