SCHEMBL11280347

SCHEMBL11280347

CCC(C)C(=O)SCC(=O)N(c1c(C)ccc(C)c1C)[C@@H](C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
RORC P51449 1/20 0.33
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
MAPT P10636 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
SCHEMBL11280344 1.00 NPSR1 (0.40) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11275029 0.91 KMT2A (0.37) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11277097 0.91 KMT2A (0.37) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11277090 0.91 KMT2A (0.37) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11275028 0.91 KMT2A (0.37) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11280504 0.91 MEN1 (0.40) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11280501 0.91 MEN1 (0.40) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11271599 0.90 NPSR1 (0.44) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11271601 0.90 NPSR1 (0.44) NPSR1MEN1HTTKMT2APLA2G1B
SCHEMBL11273887 0.86 MEN1 (0.41) NPSR1MEN1HTTKMT2APLA2G1B

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-4313957-A Pesticidal sulfur containing amides derived from aniline and the method of preparation thereof RHONE-POULENC AGROCHIMIE (FR) 1982-02-02 US disclosed