SCHEMBL10311533

SCHEMBL10311533

[CH2+][CH-]CCCCCc1ccc(OCCCCCCOC2CCC(OCCCCOC3CCC(C4CCC(C)CC4)CC3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.40
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NAAA Q02083 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL13402075 0.86 MEN1 (0.48) HRH3MEN1USP2ALDH1A1LMNA
SCHEMBL10311610 0.84 KDM4E (0.43) HRH3TDP1KDM4ERECQL
SCHEMBL10311549 0.83 KDM4E (0.34) HRH3MEN1USP2ALDH1A1LMNA
SCHEMBL10311588 0.83 KDM4E (0.36) HRH3MEN1ALDH1A1KMT2ATDP1
SCHEMBL10311540 0.79 HRH3 (0.44) HRH3CYP3A4TDP1KDM4ERECQL
SCHEMBL10311425 0.78 ITGB3 (0.40) HRH3MEN1USP2ALDH1A1LMNA
SCHEMBL13402067 0.78 KDM4E (0.43) HRH3MEN1KMT2ATDP1KDM4E
SCHEMBL10311524 0.78 HRH3 (0.37) HRH3CYP3A4TDP1KDM4ERECQL
SCHEMBL10311456 0.78 NR5A1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL10311471 0.75 TP53 (0.33) S1PR1S1PR3S1PR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 US disclosed
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20120178894-A1 COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER INAGAKI JYUN-ICHI (JP) 2012-07-12 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed