SCHEMBL8350809

SCHEMBL8350809

COC(=O)NCC(=O)N1CCC[C@H]1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
FKBP1A P62942 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
FAP Q12884 4/20 0.44
PREP P48147 4/20 0.44
DPP4 P27487 4/20 0.44
PEPD P12955 2/20 0.44
KLK5 Q9Y337 1/20 0.42
ACE P12821 1/20 0.42
XPNPEP1 Q9NQW7 1/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41

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
SCHEMBL18636997 0.88 ACE (0.51) LMNARAB9AFAPPREPDPP4
SCHEMBL17751443 0.88 POLB (0.49) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL8350270 0.88 PREP (0.48) FAPPREPDPP4ACEDPP8
SCHEMBL8350007 0.88 ACE (0.51) LMNARAB9AFAPPREPDPP4
SCHEMBL6468703 0.88 KLK5 (0.53) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL14235217 0.88 KLK5 (0.53) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL18653084 0.87 DPP4 (0.49) FAPPREPDPP4
SCHEMBL17751419 0.87 POLB (0.48) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL6376807 0.84 POLB (0.51) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL15457808 0.84 PREP (0.42) FAPPREPDPP4ACEDPP8

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-2340830-A2 Hepatitis C Virus Inhibitors Bristol-Myers Squibb Company (US) 2011-07-06 EP disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed