SCHEMBL8959792

SCHEMBL8959792

C=C=C1OCc2cc(OCCCCC)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 2/20 0.39
MAOB P27338 5/20 0.39
MAOA P21397 4/20 0.39
NR5A1 Q13285 1/20 0.38
PDK2 Q15119 2/20 0.38
TSHR P16473 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL8959944 0.99 THRA (0.45) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL8960058 0.97 MEN1 (0.42) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL8959916 0.92 MAOA (0.40) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL8959917 0.86 MAOA (0.42) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL11357497 0.72 THRA (0.54) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL11354421 0.72 THRA (0.54) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL8143543 0.72 THRA (0.54) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL805440 0.72 MAOB (0.45) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL805442 0.71 MEN1 (0.56) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL4894161 0.70 NPC1 (0.53) THRATHRBMEN1NPC1ALDH1A1

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-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed