SCHEMBL6934190

SCHEMBL6934190

COC(=O)Oc1cccc2c1OCN(C[C]=O)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACACB O00763 3/20 0.35
LMNA P02545 2/20 0.34
PRMT5 O14744 7/20 0.34
MTNR1A P48039 4/20 0.33
CYP1A2 P05177 1/20 0.32
WDR77 Q9BQA1 3/20 0.32
MAPT P10636 1/20 0.32
MTNR1B P49286 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
SCHEMBL6805074 0.84 ACACB (0.37) KDM4EHPGDHSD17B10ACACBLMNA
SCHEMBL6556019 0.72 PARP1 (0.50) KDM4EHPGDHSD17B10LMNAMTNR1A
SCHEMBL18196600 0.70 HPGD (0.42) KDM4EHPGDHSD17B10LMNAMTNR1A
Oxalic Acid SCHEMBL11719164 0.67 POLB (0.48) KDM4ELMNAMAPT
SCHEMBL5200399 0.66 MTNR1A (0.47) KDM4EHPGDHSD17B10MTNR1AMAPT
SCHEMBL11708040 0.65 CYP1A2 (0.62) CYP1A2
SCHEMBL28471767 0.65 ACKR3 (0.39) PRMT5WDR77
SCHEMBL28469182 0.64 ACKR3 (0.45) PRMT5WDR77
SCHEMBL11709331 0.64 KCNH2 (0.50) CYP1A2MAPT
SCHEMBL11708757 0.62 SIGMAR1 (0.50) MAPT

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-1370296-A2 CATECHOLATE BETA-LACTAM CONJUGATES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF Grünenthal GmbH (DE) 2003-12-17 EP disclosed
WO-2002070016-A2 CATECHOLATE BETA-LACTAM CONJUGATES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF Grünenthal GmbH (DE) 2002-09-12 WO disclosed