SCHEMBL11280504

SCHEMBL11280504

CCC(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
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
RAB9A P51151 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 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
SCHEMBL11280501 1.00 MEN1 (0.40) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11279658 0.92 CA1 (0.40) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11279653 0.92 CA1 (0.40) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11281229 0.91 KMT2A (0.37) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11281231 0.91 KMT2A (0.37) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11279361 0.91 KMT2A (0.37) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11279364 0.91 KMT2A (0.37) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11280344 0.91 NPSR1 (0.40) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11280347 0.91 NPSR1 (0.40) MEN1KMT2ANPSR1HTTPLA2G1B
SCHEMBL11271601 0.90 NPSR1 (0.44) MEN1KMT2ANPSR1HTTPLA2G1B

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