SCHEMBL8090199

SCHEMBL8090199

COC12CCC(c3cccc(C(=O)NC(CCCN)OBOC(CCCN)NC(=O)c4cccc(C56CCC(OC)(CC5)CC6)c4)c3)(CC1)CC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
LNPEP Q9UIQ6 3/20 0.32
ERAP2 Q6P179 4/20 0.32
ERAP1 Q9NZ08 2/20 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
SCHEMBL8090201 0.93 TAS1R3 (0.33) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL8091543 0.89 HPGDS (0.32) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL8091555 0.88 CTSB (0.33) TAS1R3TAS1R1ALDH1A1HPGDLNPEP
SCHEMBL8091548 0.82 HPGDS (0.31) TAS1R3TAS1R1FNTAFNTB
SCHEMBL8095195 0.81 F10 (0.33) TAS1R3TAS1R1FNTAFNTBALDH1A1
SCHEMBL8091556 0.81 CTSB (0.33) TAS1R3TAS1R1ALDH1A1HPGDLNPEP
SCHEMBL8098189 0.78 CTSB (0.32) TAS1R3TAS1R1LNPEPERAP2ERAP1
SCHEMBL8098021 0.78 ITGB3 (0.33) ALDH1A1
SCHEMBL8091676 0.78 L3MBTL1 (0.32) TAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL8083593 0.77 L3MBTL1 (0.32) TAS1R3TAS1R1ALDH1A1HPGD

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
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed