SCHEMBL8959944

SCHEMBL8959944

C=C=C1OCc2cc(OCCCCCCCC)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
PTPN11 Q06124 4/20 0.41
NR5A1 Q13285 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 1/20 0.39
PTPN1 P18031 1/20 0.39
LTA4H P09960 1/20 0.38
MAOA P21397 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8959792 0.99 THRA (0.43) THRATHRBPTPN11NR5A1TSHR
SCHEMBL8960058 0.96 MEN1 (0.42) THRATHRBMAOBNPC1RAB9A
SCHEMBL8959916 0.91 MAOA (0.40) MAOBNPC1RAB9AMEN1ALDH1A1
SCHEMBL8959917 0.85 MAOA (0.42) TSHRMAOBMEN1ALDH1A1MAPT
SCHEMBL11357497 0.74 THRA (0.54) THRATHRBPTPN11NR5A1TSHR
SCHEMBL11354421 0.74 THRA (0.54) THRATHRBPTPN11NR5A1TSHR
SCHEMBL8143543 0.74 THRA (0.54) THRATHRBPTPN11NR5A1TSHR
SCHEMBL805440 0.71 MAOB (0.45) THRATHRBMAOBNPC1RAB9A
SCHEMBL805442 0.70 MEN1 (0.56) THRATHRBNR5A1MAOBNPC1
SCHEMBL2623213 0.70 NR5A1 (0.53) THRATHRBNR5A1TSHRNPC1

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