SCHEMBL19286247

SCHEMBL19286247

C[C@H](NC(=S)N[C@H](C)[C@@H]1CCCC1(C)P(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
EPHX1 P07099 2/20 0.38
HTT P42858 1/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19286314 1.00 ALPL (0.42) ALPLALPIALPGRECQLLMNA
SCHEMBL19286276 0.84 LMNA (0.30) LMNAHPGDL3MBTL1
SCHEMBL19286217 0.84 LTC4S (0.44) LMNAGAA
SCHEMBL19286267 0.79 ALDH1A1 (0.33) RECQLLMNAEPHX1HTTKMT2A
SCHEMBL19286197 0.77 MAPT (0.48) LMNAHTTGAAKMT2AMEN1
SCHEMBL19286193 0.77 MAPT (0.48) LMNAHTTGAAKMT2AMEN1
SCHEMBL19286201 0.77 MEN1 (0.41) KMT2AMEN1
SCHEMBL19286279 0.74 L3MBTL1 (0.32) GAAL3MBTL1
SCHEMBL19286232 0.72 TRPA1 (0.33) L3MBTL1
SCHEMBL19286245 0.72 TRPA1 (0.33) L3MBTL1

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-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed