SCHEMBL20054494

SCHEMBL20054494

CN(CC1(C(O)O)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
ASGR1 P07306 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL22113050 0.86
SCHEMBL31703654 0.77 HDAC6 (0.33) FPR3FPR2ASGR1HDAC1HDAC2
SCHEMBL15116573 0.75 CYP4F2 (0.33) FPR3FPR2ASGR1HDAC1HDAC2
SCHEMBL23282418 0.75 ASGR1 (0.40) FPR3FPR2ASGR1HDAC1HDAC2
SCHEMBL4137259 0.75 PDK2 (0.32) FPR3FPR2ASGR1HDAC1HDAC2
SCHEMBL15113643 0.74 CTSL (0.31) FPR3FPR2ASGR1
SCHEMBL22113052 0.73 ASGR1 (0.32) FPR3FPR2ASGR1HDAC1HDAC2
SCHEMBL20993458 0.73 FPR3 (0.33) FPR3FPR2ASGR1HDAC1HDAC2
SCHEMBL16337389 0.72 CYP4F2 (0.37) FPR3FPR2ASGR1HDAC1HDAC2
SCHEMBL15125117 0.72 ASGR1 (0.31) FPR3FPR2ASGR1HDAC1HDAC2

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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed