SCHEMBL8080975

SCHEMBL8080975

CCCCC(I)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 4/20 0.52
SIRT2 Q8IXJ6 8/20 0.51
SIRT1 Q96EB6 5/20 0.51
SIRT3 Q9NTG7 4/20 0.50
CTRB1 P17538 2/20 0.50
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
ATM Q13315 1/20 0.50
CTSB P07858 1/20 0.49
MBOAT4 Q96T53 1/20 0.49

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
SCHEMBL7527895 0.85 SYK (0.55) CTSLCTSSCTSKCTRB1ATM
SCHEMBL21333945 0.84 CTSL (0.62) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL28370653 0.84 CTSL (0.62) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL4126228 0.83 CTSL (0.72) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL11332452 0.83 CTSL (0.72) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL150166 0.83 CTSL (0.72) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL28414503 0.83 CTSL (0.61) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL5501379 0.83 CTSL (0.61) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL19021627 0.83 CTSL (0.61) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL15665360 0.82 CTSL (0.70) CTSLCTSSCTSKSIRT2SIRT1

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
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed