SCHEMBL11538145

SCHEMBL11538145

CCC(CC)(C(=O)O)C(=O)OCCCCC#N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.32
CNR2 P34972 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
HCAR2 Q8TDS4 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL11538285 0.95 MEN1 (0.49) MEN1KMT2ATSHRCNR2CTSS
SCHEMBL20528149 0.81 MEN1 (0.57) MEN1KMT2ATSHRHCAR2NAAA
SCHEMBL11034348 0.81 NAAA (0.47) TSHRHCAR2NAAA
SCHEMBL20528145 0.80 MEN1 (0.55) MEN1KMT2ATSHRHCAR2NAAA
SCHEMBL10033529 0.80 MEN1 (0.42) MEN1KMT2ATSHRCNR2NAAA
SCHEMBL29290505 0.80
SCHEMBL11540502 0.80 NAAA (0.50) TSHRHCAR2NAAA
SCHEMBL9815160 0.80 NAAA (0.50) TSHRHCAR2NAAA
SCHEMBL7687966 0.80 NAAA (0.50) TSHRHCAR2NAAA
SCHEMBL9472810 0.80 NAAA (0.50) TSHRHCAR2NAAA

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-4174428-A CYCLIC TETRAAMINES WITH PENDANT AMINOALKYLS AND POLYSTYRENE WITH THE TETRAAMINE BONDED THERETO Tabushi, Iwao (JP) 1979-11-13 US disclosed