SCHEMBL7723243

SCHEMBL7723243

CC(C)(C)c1ccc2oc(C(O)[C@@H](CCc3ccccc3)NC(=O)[C@H](N)CCCN)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CTSC P53634 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
LNPEP Q9UIQ6 4/20 0.34
MMP2 P08253 1/20 0.34
ERAP2 Q6P179 3/20 0.34
ERAP1 Q9NZ08 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7732038 0.96 CTSL (0.41) CTSLCTSBCTSSCTSKCTSC
SCHEMBL7732452 0.87 LMNA (0.42) CTSCLNPEPMMP2ERAP2ERAP1
SCHEMBL7730106 0.87 CTSC (0.38) CTSBCTSSCTSKCTSCCHRNB2
SCHEMBL7732041 0.86 CTSL (0.39) CTSLCTSBCTSSCTSKCHRNB2
Trifluoroacetic Acid SCHEMBL7733845 0.85 LMNA (0.39) CTSCLNPEPMMP2ERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7734181 0.85 OPRK1 (0.37) CTSLCTSBCTSCCHRNB2CHRNB4
Trifluoroacetic Acid SCHEMBL7731111 0.84 MMP2 (0.38) CTSLCTSCLNPEPMMP2ERAP2
SCHEMBL7732434 0.81 CTSL (0.43) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL7730692 0.79 CTSL (0.42) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL7728351 0.78 CTSS (0.44) CTSLCTSBCTSSCTSKCTSC

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-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed