SCHEMBL2303375

SCHEMBL2303375

COC(=O)COC(=O)CN

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
TET2 Q6N021 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
RECQL P46063 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL129132 0.81 MGAM (0.52) LMNAKDM4EMGAMGAASI
SCHEMBL8968049 0.81 TSHR (0.46) LMNAKDM4EMGAMGAASI
SCHEMBL13169650 0.81
SCHEMBL12140935 0.81
SCHEMBL2148 0.81
SCHEMBL10001051 0.80 MGAM (0.67) LMNAKDM4EMGAMGAASI
SCHEMBL15949790 0.79 TSHR (0.63) LMNAKDM4EMGAMGAASI
SCHEMBL22667219 0.79 MGAM (0.50) LMNAKDM4EMGAMGAASI
Ammonia Solution, Strong SCHEMBL2760794 0.78
SCHEMBL4649402 0.78

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
CN-102282160-B Multiligand constructs 赛密欧提克有限公司 2016-08-24 CN disclosed
CN-102282160-A Multi-ligand constructs 2011-12-14 CN disclosed
EP-2350120-A1 MULTILIGAND CONSTRUCTS Bovin, Nikolai Vladimirovich (RU) 2011-08-03 EP disclosed
WO-2010043230-A1 MULTILIGAND CONSTRUCTS BOVIN NIKOLAI VLADIMIROVICH (RU) 2010-04-22 WO disclosed