SCHEMBL19286267

SCHEMBL19286267

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 3/20 0.32
EPHX1 P07099 2/20 0.32
KMT2A Q03164 3/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.30
ALOX12 P18054 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 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
SCHEMBL19286314 0.79 ALPL (0.42) HTTLMNARECQLNPC1EPHX1
SCHEMBL19286247 0.79 ALPL (0.42) HTTLMNARECQLNPC1EPHX1
SCHEMBL19286201 0.76 MEN1 (0.41) ALDH1A1KMT2AMEN1MAPK1
SCHEMBL19286285 0.76 ALDH1A1 (0.34) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL19286217 0.73 LTC4S (0.44) LMNA
SCHEMBL19286276 0.73 LMNA (0.30) LMNAL3MBTL1
SCHEMBL19286193 0.73 MAPT (0.48) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL19286197 0.73 MAPT (0.48) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL19286269 0.70 LMNA (0.35) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL19286263 0.70 EPHX2 (0.43) ALDH1A1LMNASMN1; SMN2NPC1RAB9A

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