SCHEMBL7977282

SCHEMBL7977282

CC(C)(C)OC(=O)C(CCCCNCC=N)NC(=O)C(=O)NC(CCCCNCC=N)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 9/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
POLB P06746 4/20 0.39
MAPT P10636 8/20 0.37
KDM4E B2RXH2 5/20 0.37
PAX8 Q06710 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CTSK P43235 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL7974823 0.81 ALDH1A1 (0.47) KMT2AMEN1GAACTSKALDH1A1
SCHEMBL7963528 0.75 TDP1 (0.36) TDP1ATMNPSR1KMT2AMEN1
Hydrochloric Acid SCHEMBL7788056 0.75 TDP1 (0.42) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL7977002 0.75 CTSK (0.46) CTSK
SCHEMBL7963488 0.73 ALDH1A1 (0.51) TDP1ATMNPSR1MAPTKDM4E
SCHEMBL7973799 0.73 ALDH1A1 (0.37) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL7945007 0.72 TDP1 (0.46) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL29335806 0.72 TDP1 (0.41) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL7974856 0.71 CTSK (0.43) CTSK
SCHEMBL24511096 0.71 TDP1 (0.53) TDP1ATMNPSR1KMT2AMEN1

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-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO disclosed