SCHEMBL8430941

SCHEMBL8430941

CCCCn1c(-c2cc(C)cc(C)c2)c(CC)c(=O)n([Se])c1=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.34
PGR P06401 2/20 0.34
RORA P35398 2/20 0.34
RORC P51449 2/20 0.34
RORB Q92753 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8426879 0.87 PGR (0.36) ALDH1A1HPGDPGRRORARORC
SCHEMBL8430906 0.82 LMNA (0.35) ALDH1A1HPGDGAAPGRRORA
SCHEMBL8427005 0.69 PDE9A (0.36) ALDH1A1HPGDGAAPGRRORA
SCHEMBL8428896 0.65 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL8430942 0.64 GAA (0.38) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL8426881 0.61 MAPT (0.43) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL7213298 0.60 SIRT2 (0.64) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL11241641 0.60 ALDH1A1 (0.46) ALDH1A1HPGDGAAPGRRORA
SCHEMBL23400450 0.59 KMT2A (0.48) ALDH1A1PGRRORARORCRORB
SCHEMBL11922814 0.59 CNR2 (0.53) ALDH1A1HPGDPGRRORARORC

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-5889013-A REACTING AN URACIL COMPOUND WITH N, O-BIS/TRIMETHYLSILYL/ACETAMIDE FOLLOWED BY TETRABUTYLAMMONIUM IODIDE AND CHLOROMETHYL ETHER COMPOUND AND THEN REACTING WITH ARYL SELENOL IN A BASE SUNKYONG INDUSTRIES CO., INC. (KR) 1999-03-30 US disclosed