SCHEMBL10667341

SCHEMBL10667341

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.43
▸ ATM Q13315 4/20 0.43
▸ KMT2A Q03164 8/20 0.42
▸ NPSR1 Q6W5P4 6/20 0.42
▸ POLB P06746 3/20 0.42
▸ MEN1 O00255 7/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ACE P12821 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL31553483 0.89 TDP1 (0.48) TDP1ATMKMT2ANPSR1POLB
SCHEMBL11075153 0.86 ACE (0.38) TDP1ATMKMT2ANPSR1POLB
SCHEMBL10668564 0.84 KMT2A (0.59) TDP1ATMKMT2AMEN1PAX8
SCHEMBL30665183 0.83 TDP1 (0.48) TDP1ATMKMT2ANPSR1POLB
SCHEMBL12994466 0.82 TDP1 (0.45) TDP1ATMKMT2ANPSR1POLB
SCHEMBL19982985 0.81 MEN1 (0.52) TDP1KMT2AMEN1ACEALDH1A1
SCHEMBL10670788 0.81 MEN1 (0.52) TDP1KMT2AMEN1ACEALDH1A1
SCHEMBL19665743 0.81 MEN1 (0.52) TDP1KMT2AMEN1ACEALDH1A1
SCHEMBL31553482 0.81 TDP1 (0.50) TDP1ATMKMT2ANPSR1POLB
SCHEMBL10668227 0.80 CTSK (0.49) ATMKMT2AMEN1MAPTACE

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
US-4745124-A THIO/ESTER PEPTIDES UNIVERSITY OF MIAMI (US) 1988-05-17 — — US disclosed
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