SCHEMBL10311540

SCHEMBL10311540

[CH2+][CH-]CCCCCOc1ccc(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.44
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP3A4 P08684 3/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL10311586 0.90 HRH3 (0.42) HRH3KDM4ERECQLTDP1RAB9A
SCHEMBL13402069 0.84 RAB9A (0.52) HRH3RAB9ACYP2C9
SCHEMBL10311524 0.84 HRH3 (0.37) HRH3KDM4ERECQLTDP1RAB9A
SCHEMBL10311618 0.84 HRH3 (0.44) HRH3KDM4ERECQLTDP1RAB9A
SCHEMBL10311547 0.84 KDM4E (0.42) HRH3KDM4ERAB9AKCNH2CYP2C9
SCHEMBL10311533 0.79 HRH3 (0.40) HRH3KDM4ERECQLTDP1CYP3A4
SCHEMBL10311472 0.78 ESR2 (0.38) HRH3RAB9AESR2
SCHEMBL15584123 0.78 HRH3 (0.49) HRH3KDM4ERECQLTDP1RAB9A
SCHEMBL13402038 0.77 HRH3 (0.46) HRH3KDM4ERECQLTDP1RAB9A
SCHEMBL24779248 0.77 RAB9A (0.59) HRH3RAB9AKCNH2CYP2C9CYP3A4

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