SCHEMBL7439440

SCHEMBL7439440

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)N1CCSCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.48
CTSK P43235 5/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 2/20 0.48
CTSD P07339 1/20 0.47
CASP3 P42574 2/20 0.46
CASP7 P55210 1/20 0.46
TACR1 P25103 2/20 0.46
CCR1 P32246 2/20 0.46
REN P00797 1/20 0.46

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
SCHEMBL7388307 0.89 CTSK (0.51) CTSBCTSKCTSSCTSLCTSD
SCHEMBL8893516 0.86 CASP3 (0.51) CTSBCTSKCTSSCTSLCTSD
SCHEMBL7432162 0.81 CTSB (0.52) CTSBCTSKCTSSCTSLCASP3
SCHEMBL8893671 0.81 CTSS (0.55) CTSBCTSKCTSSCTSL
SCHEMBL8895231 0.81 CTSS (0.55) CTSBCTSKCTSSCTSL
SCHEMBL7438999 0.80 CTSS (0.55) CTSBCTSKCTSSCTSLCTSD
SCHEMBL25287172 0.80 ECE1 (0.61) CTSBCTSKCTSSCTSLCTSD
SCHEMBL3058668 0.80 ECE1 (0.61) CTSBCTSKCTSSCTSLCTSD
SCHEMBL7269151 0.80 ALDH1A1 (0.60) CTSBCTSKCTSSCTSLCTSD
SCHEMBL23234582 0.79 ALDH1A1 (0.59) CTSBCTSKCTSSCTSLCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed