SCHEMBL2500658

SCHEMBL2500658

CC[SiH](C=CCCCN1CCCC1)CC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH1 P35367 1/20 0.31
TSHR P16473 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
SCHEMBL2509320 0.98 HRH3 (0.43) HRH3MAPTCYP2D6CYP2C19CYP1A2
SCHEMBL2506359 0.89 CARM1 (0.34) HRH3CARM1PRMT6PRMT8
SCHEMBL2509150 0.79 HRH3 (0.46) HRH3MAPTCYP2D6CYP2C19CYP1A2
SCHEMBL21862177 0.74 HRH3 (0.48) HRH3MAPTCYP2D6CYP2C19CYP1A2
SCHEMBL27840542 0.73 HRH3 (0.39) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL27821060 0.71 HRH3 (0.42) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL4914238 0.70
SCHEMBL28057560 0.70 HRH3 (0.60) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL172368 0.70
SCHEMBL9111689 0.70 HRH3 (0.48) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304488-B2 Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110245408-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed