SCHEMBL9795281

SCHEMBL9795281

CCN(CC)CCNC(=O)[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.49
SIGMAR1 Q99720 1/20 0.46
STAT3 P40763 1/20 0.44
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
NAAA Q02083 1/20 0.41
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39

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 1.00 TSHR (0.57) TSHRPOLBLMNAKMT2ASIGMAR1
Oxalic Acid SCHEMBL9795121 0.95 POLB (0.53) TSHRPOLBLMNAKMT2ASIGMAR1
Oxalic Acid SCHEMBL9795105 0.95 POLB (0.53) TSHRPOLBLMNAKMT2ASIGMAR1
SCHEMBL7469332 0.85 POLB (0.66) TSHRPOLBLMNAKMT2ASIGMAR1
SCHEMBL9795296 0.83 HSD11B1 (0.49) TSHRPOLBLMNAKMT2ATP53
SCHEMBL12820426 0.83 POLB (0.53) TSHRPOLBLMNAKMT2ASIGMAR1
SCHEMBL2325837 0.82 GNAI3 (0.59) TSHRPOLBLMNAKMT2ASIGMAR1
SCHEMBL9795115 0.81 TSHR (0.52) TSHRPOLBLMNAKMT2ASIGMAR1
SCHEMBL20928274 0.80 NAAA (0.51) KMT2ANAAASMN1; SMN2GNAI3GNAO1
SCHEMBL9795239 0.77 POLB (0.48) TSHRPOLBLMNAKMT2ASIGMAR1

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