SCHEMBL9795115

SCHEMBL9795115

CCN(CC)CCNC(=O)C1CCC(OC(=O)C(=O)OC2CCC(C(=O)NCCN(CC)CC)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.44
STAT3 P40763 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
NAAA Q02083 1/20 0.38
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9795287 0.81 TSHR (0.57) TSHRPOLBLMNAKMT2ASTAT3
SCHEMBL9795281 0.81 TSHR (0.57) TSHRPOLBLMNAKMT2ASTAT3
SCHEMBL9795239 0.81 POLB (0.48) TSHRPOLBLMNAKMT2ASTAT3
SCHEMBL7469332 0.80 POLB (0.66) TSHRPOLBLMNAKMT2ASTAT3
Oxalic Acid SCHEMBL9795105 0.78 POLB (0.53) TSHRPOLBLMNAKMT2ASTAT3
Oxalic Acid SCHEMBL9795121 0.78 POLB (0.53) TSHRPOLBLMNAKMT2ASTAT3
SCHEMBL12820426 0.78 POLB (0.53) TSHRPOLBLMNAKMT2ASTAT3
SCHEMBL2325837 0.77 GNAI3 (0.59) TSHRPOLBLMNAKMT2ASTAT3
Fumaric Acid SCHEMBL9795509 0.75 POLB (0.43) TSHRPOLBLMNAKMT2ASTAT3
SCHEMBL20670372 0.72 TSHR (0.50) TSHRPOLBLMNAKMT2ASTAT3

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed