SCHEMBL11279658

SCHEMBL11279658

CCCCC(CC)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 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GAA P10253 1/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11279653 1.00 CA1 (0.40) CA1CA2LMNAMEN1KMT2A
SCHEMBL11266048 0.92 CA1 (0.38) CA1CA2LMNAMEN1KMT2A
SCHEMBL11269688 0.92 CA1 (0.38) CA1CA2LMNAMEN1KMT2A
SCHEMBL11266051 0.92 CA1 (0.38) CA1CA2LMNAMEN1KMT2A
SCHEMBL11280501 0.92 MEN1 (0.40) LMNAMEN1KMT2ANPSR1PLA2G1B
SCHEMBL11280347 0.85 NPSR1 (0.40) MEN1KMT2ANPSR1PLA2G1BHTT
SCHEMBL11280344 0.85 NPSR1 (0.40) MEN1KMT2ANPSR1PLA2G1BHTT
SCHEMBL11272629 0.84 MEN1 (0.39) MEN1KMT2ANPSR1PLA2G1BHTT
SCHEMBL11272625 0.84 MEN1 (0.39) MEN1KMT2ANPSR1PLA2G1BHTT
SCHEMBL11271599 0.84 NPSR1 (0.44) MEN1KMT2ANPSR1PLA2G1BHTT

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