SCHEMBL10668227

SCHEMBL10668227

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](Cc1cccs1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.49
▸ CTSS P25774 1/20 0.49
▸ USP30 Q70CQ3 1/20 0.47
▸ FOLH1 Q04609 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ATM Q13315 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CXCR3 P49682 1/20 0.41
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ PGGT1B P53609 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 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
SCHEMBL10668564 0.87 KMT2A (0.59) KMT2AATMMEN1ITGB3ITGA2B
SCHEMBL11036872 0.86 CTSK (0.43) CTSKCTSSUSP30ITGB3ITGA2B
SCHEMBL19982985 0.81 MEN1 (0.52) KMT2AMEN1ITGB3ITGA2BACE
SCHEMBL10670788 0.81 MEN1 (0.52) KMT2AMEN1ITGB3ITGA2BACE
SCHEMBL19665743 0.81 MEN1 (0.52) KMT2AMEN1ITGB3ITGA2BACE
SCHEMBL10667341 0.80 TDP1 (0.43) KMT2AATMMEN1ITGB3ITGA2B
SCHEMBL16847748 0.79 CTSS (0.54) CTSKCTSSFOLH1ITGB3MAPT
SCHEMBL10667361 0.79 TSHR (0.48) CTSKCTSSFOLH1KMT2AMEN1
SCHEMBL18099938 0.77 CTSK (0.62) CTSKCTSSFOLH1FNTAFNTB
SCHEMBL844316 0.75 CTSK (0.73) CTSKCTSSITGB3ITGA2BACE

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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