SCHEMBL5029633

SCHEMBL5029633

O=C(O)CCS[C@@]1(C(=O)O)CCCN1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18280876 0.82 ARG1 (0.35) ARG1ARG2
SCHEMBL6969192 0.80 ARG1 (0.35) KMT2AARG1ARG2
SCHEMBL9297313 0.79 ARG1 (0.35) ARG1ARG2
SCHEMBL7339204 0.79 ARG1 (0.35) ARG1ARG2
SCHEMBL7339201 0.79 ARG1 (0.35) ARG1ARG2
SCHEMBL7340597 0.76 ARG1 (0.33) ARG1ARG2
SCHEMBL7269187 0.72 ARG1 (0.34) ARG1ARG2
SCHEMBL10969403 0.71 SLC6A2 (0.37) LMNAKMT2ATDP1ALDH1A1
SCHEMBL8936213 0.68 ARG1 (0.32) ARG1ARG2
SCHEMBL8936209 0.68 ARG1 (0.32) ARG1ARG2

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-1951723-A1 THE APPLICATION USING NON-COVALENT BOND BETWEEN A CUCURBITURIL DERIVATIVE AND A LIGAND Postech Academy-Industry Foundation (KR) 2008-08-06 EP disclosed
WO-2007046575-A1 THE APPLICATION USING NON-COVALENT BOND BETWEEN A CUCURBITURIL DERIVATIVE AND A LIGAND POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2007-04-26 WO disclosed