SCHEMBL7732041

SCHEMBL7732041

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
LNPEP Q9UIQ6 4/20 0.33
ERAP2 Q6P179 3/20 0.33
RAB9A P51151 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
NPC1 O15118 1/20 0.33
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL7733848 0.90 LMNA (0.38) LNPEPERAP2RAB9AERAP1NPC1
SCHEMBL7734185 0.90 LNPEP (0.34) LNPEPERAP2ERAP1CHRNB2CHRNB4
SCHEMBL7731113 0.89 PRSS8 (0.34) LNPEPERAP2ERAP1MMP2
Trifluoroacetic Acid SCHEMBL7732038 0.87 CTSL (0.41) CTSLCTSBCTSSCTSKLNPEP
SCHEMBL7723243 0.86 CTSL (0.43) CTSLCTSBCTSSCTSKLNPEP
Trifluoroacetic Acid SCHEMBL7733845 0.77 LMNA (0.39) LNPEPERAP2ERAP1MMP2
Trifluoroacetic Acid SCHEMBL7734181 0.76 OPRK1 (0.37) CTSLCTSBLNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7731111 0.76 MMP2 (0.38) CTSLLNPEPERAP2ERAP1MMP2
SCHEMBL7734127 0.76 CYP3A4 (0.38) LNPEPERAP2ERAP1MMP2
SCHEMBL7723159 0.76 HDAC3 (0.35) LNPEPMMP2MMP1

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-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed