SCHEMBL7280270

SCHEMBL7280270

C=C[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.55
CTSL P07711 4/20 0.55
CTSS P25774 3/20 0.55
CTSK P43235 3/20 0.55
CASP1 P29466 1/20 0.48
ALDH1A1 P00352 2/20 0.48
EPHX1 P07099 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TGM2 P21980 1/20 0.45
CYP1A2 P05177 1/20 0.45
CTRB1 P17538 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
SCHEMBL7271134 0.89 CTSL (0.56) CTSBCTSLCTSSCTSKCASP1
SCHEMBL7271139 0.89 CTSL (0.56) CTSBCTSLCTSSCTSKCASP1
SCHEMBL3330029 0.85 CTSB (0.52) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL7266686 0.85 CTSB (0.52) CTSBCTSLCTSSCTSKCASP1
SCHEMBL24447908 0.83 CTSL (0.50) CTSBCTSLCTSSCTSKCASP1
SCHEMBL8138447 0.83 CTSL (0.50) CTSBCTSLCTSSCTSKCASP1
SCHEMBL4622697 0.81 CTSK (0.67) CTSBCTSLCTSSCTSKCASP1
SCHEMBL28546631 0.81 CTSK (0.67) CTSBCTSLCTSSCTSKCASP1
SCHEMBL22225460 0.81 CTSK (0.61) CTSBCTSLCTSSCTSKCASP1
SCHEMBL4800376 0.81 CTSK (0.67) CTSBCTSLCTSSCTSKCASP1

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