SCHEMBL7270917

SCHEMBL7270917

O=C(NC(CC1CCCCC1)C(O)CI)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
CTSL P07711 2/20 0.54
REN P00797 4/20 0.50
CASP1 P29466 1/20 0.48
ALDH1A1 P00352 2/20 0.47
EPHX1 P07099 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.44

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
SCHEMBL7293547 1.00 CTSB (0.54) CTSBCTSSCTSKCTSLREN
SCHEMBL7270921 1.00 CTSB (0.54) CTSBCTSSCTSKCTSLREN
SCHEMBL8759866 0.91 CTSB (0.54) CTSBCTSSCTSKCTSLREN
SCHEMBL8759915 0.87 CTSB (0.55) CTSBCTSSCTSKCTSLREN
SCHEMBL8681567 0.87 CTSB (0.51) CTSBCTSSCTSKCTSLREN
SCHEMBL9312089 0.85 CTSL (0.52) CTSBCTSSCTSKCTSLREN
SCHEMBL9312452 0.85 CTSL (0.52) CTSBCTSSCTSKCTSLREN
SCHEMBL7266686 0.84 CTSB (0.52) CTSBCTSSCTSKCTSLREN
SCHEMBL8681529 0.84 CTSB (0.51) CTSBCTSSCTSKCTSLREN
SCHEMBL7350190 0.84 REN (0.52) CTSBCTSSCTSKCTSLREN

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-5145951-A Protected ologopeptides; treating aids BAYER AKTIENGESELLSCHAFT, A CORP. OF GERMANY (DE) 1992-09-08 US disclosed
EP-0437729-A2 New peptides, procedure for their preparation and their use as a medicament, especially their use as medicament against retroviruses BAYER AG (DE) 1991-07-24 EP disclosed