SCHEMBL10311524

SCHEMBL10311524

[CH2+][CH-]CCCCC1CCC(c2ccc(OCCCOC3CCC(C4CCC(C)CC4)CC3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.37
RAB9A P51151 1/20 0.33
CYP2C9 P11712 6/20 0.32
KCNH2 Q12809 4/20 0.32
CYP3A4 P08684 4/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL13402038 0.85 HRH3 (0.46) HRH3RAB9ACYP2C9KCNH2CYP3A4
SCHEMBL10311540 0.84 HRH3 (0.44) HRH3RAB9ACYP2C9KCNH2CYP3A4
SCHEMBL11957133 0.81 HRH3 (0.37) HRH3RAB9ACYP2C9KCNH2CYP3A4
SCHEMBL10311533 0.78 HRH3 (0.40) HRH3CYP3A4KDM4ERECQLTDP1
SCHEMBL10311586 0.78 HRH3 (0.42) HRH3RAB9ACYP2C9KCNH2CYP3A4
SCHEMBL9345230 0.78 HRH3 (0.50) HRH3RAB9ACYP2C9KCNH2CYP3A4
SCHEMBL9345250 0.78 HRH3 (0.50) HRH3RAB9ACYP2C9KCNH2CYP3A4
SCHEMBL10311577 0.77 RARB (0.39) HRH3RAB9ACYP2C9CYP3A4
SCHEMBL10311516 0.77 ESR2 (0.39) HRH3ESR2
SCHEMBL10311460 0.76 ESR2 (0.45) HRH3ESR2

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