SCHEMBL1189714

SCHEMBL1189714

C[C@]1(C(=O)O)CCCCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.50
OPRK1 P41145 1/20 0.48
ALDH1A1 P00352 1/20 0.46
FKBP1A P62942 2/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL28943687 0.97 PREP (0.51) PREPOPRK1ALDH1A1GAA
SCHEMBL1816285 0.97 PREP (0.51) PREPOPRK1ALDH1A1GAA
SCHEMBL17293555 0.88 PREP (0.49) PREPOPRK1ALDH1A1
SCHEMBL1816147 0.88 PREP (0.49) PREPOPRK1ALDH1A1
SCHEMBL24555463 0.86 PREP (0.48) PREPOPRK1ALDH1A1
SCHEMBL22811016 0.83 PREP (0.45) PREPOPRK1ALDH1A1
SCHEMBL630719 0.82 MEN1 (0.46) FKBP1A
SCHEMBL2084087 0.81 PREP (0.49) PREP
SCHEMBL2084231 0.81 PREP (0.48) PREPOPRK1ALDH1A1
SCHEMBL22964984 0.79 FOLH1 (0.51) PREP

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
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed