SCHEMBL7999890

SCHEMBL7999890

COC(=O)CC1C(=O)NCCN1OC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 4/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7384303 0.89 POLB (0.56) L3MBTL1KMT2AHTTLMNATSHR
SCHEMBL27332955 0.80 L3MBTL1 (0.61) L3MBTL1KMT2AKDM4EHTTLMNA
SCHEMBL3119295 0.77 TSHR (0.69) L3MBTL1KMT2AKDM4EHTTLMNA
SCHEMBL13315024 0.71 L3MBTL1 (0.56) L3MBTL1KMT2AKDM4EHTTLMNA
SCHEMBL1343383 0.71 KMT2A (0.61) L3MBTL1KMT2AHTTLMNAPOLB
SCHEMBL27783476 0.69 POLB (0.42) L3MBTL1KMT2AKDM4EHTTLMNA
SCHEMBL12569137 0.68 TSHR (0.68) L3MBTL1KMT2AHTTLMNATSHR
SCHEMBL5743015 0.67 KMT2A (0.56) L3MBTL1KMT2AHTTLMNAPOLB
SCHEMBL4344258 0.67 TSHR (0.57) L3MBTL1KMT2AKDM4ELMNATSHR
SCHEMBL14518853 0.67 DPP4 (0.47) L3MBTL1KMT2AKDM4EHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed