SCHEMBL5592243

SCHEMBL5592243

CCCC(=O)CNC1(C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.45
CTSS P25774 3/20 0.45
CTSL P07711 2/20 0.45
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CTSK P43235 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL8296463 0.84 CTSL (0.47) CTSBCTSSCTSLDDB1CRBN
SCHEMBL7360632 0.83 CTSL (0.49) CTSBCTSSCTSLDDB1CRBN
SCHEMBL6166888 0.79 DDB1 (0.48) DDB1CRBNALDH1A1
SCHEMBL15114553 0.79 ALDH1A1 (0.49) DDB1CRBNALDH1A1
SCHEMBL7411019 0.79 CTSL (0.46) CTSBCTSSCTSLDDB1CRBN
SCHEMBL7916887 0.78 CTSB (0.47) CTSBCTSSCTSLALDH1A1
SCHEMBL12661032 0.78 CTSL (0.54) CTSBCTSSCTSLDDB1CRBN
SCHEMBL13177736 0.78 CTSL (0.54) CTSBCTSSCTSLDDB1CRBN
SCHEMBL15461470 0.77 CTSB (0.50) CTSBCTSSCTSLDDB1CRBN
SCHEMBL27175299 0.76 CTSL (0.46) CTSBCTSSCTSLALDH1A1CTSK

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
WO-2007052301-A2 PROCESS FOR THE PREPARATION OF IRBESARTAN ALEMBIC LIMITED (IN) 2007-05-10 WO disclosed