SCHEMBL10980641

SCHEMBL10980641

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C(=O)O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.53
CTSB P07858 5/20 0.53
ELANE P08246 1/20 0.52
ECE1 P42892 3/20 0.52
MME P08473 3/20 0.52
REN P00797 2/20 0.51
CTSD P07339 2/20 0.49
CASP3 P42574 1/20 0.49
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL10976731 0.94 CTSB (0.55) CTSKCTSBECE1MMECTSD
SCHEMBL9325847 0.88 ECE1 (0.62) CTSKCTSBELANEECE1MME
SCHEMBL9574224 0.88 ECE1 (0.62) CTSKCTSBELANEECE1MME
SCHEMBL31326044 0.87 CTSK (0.51) CTSKCTSBELANEECE1MME
SCHEMBL3221956 0.87 CTSL (0.52) CTSKCTSBELANEECE1MME
SCHEMBL7373971 0.87 CTSL (0.52) CTSKCTSBELANEECE1MME
SCHEMBL2580714 0.87 CTSL (0.52) CTSKCTSBELANEECE1MME
SCHEMBL3221965 0.87 CTSL (0.52) CTSKCTSBELANEECE1MME
Water SCHEMBL20854852 0.86 CTSL (0.54) CTSKCTSBELANEECE1MME
SCHEMBL30748713 0.85 CTSK (0.65) CTSKCTSBELANERENCTSD

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-4504415-A Synthesis of thymosin α1 and desacetyl thymosin α1 HOFFMAN-LA ROCHE INC. (US) 1985-03-12 US disclosed