SCHEMBL5243244

SCHEMBL5243244

CCOC(=O)Oc1nc[nH]c1OC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.38
SOAT1 P35610 1/20 0.38
TP53 P04637 4/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL370253 0.88 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL9080422 0.86 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL9542969 0.76 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL9540494 0.73 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL9540477 0.73 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL6677747 0.70 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL4605821 0.69 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL7449177 0.69 ALDH1A1 (0.40) KDM4EALDH1A1ALOX5SOAT1TSHR
SCHEMBL2565429 0.69 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL4604974 0.68 PARP1 (0.46) KDM4EGAAHSD17B10HPGDRAB9A

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-1753729-A1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS INTERMEDIATE PRODUCTS FOR PRODUCING MEDICAMENTS AND PESTICIDES Boehringer Ingelheim International GmbH (DE) 2007-02-21 EP disclosed
WO-2005110999-A1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS INTERMEDIATE PRODUCTS FOR PRODUCING MEDICAMENTS AND PESTICIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed