SCHEMBL2500657

SCHEMBL2500657

C=C[Si](CC)(CC)CCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
MAPT P10636 2/20 0.37
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH1 P35367 1/20 0.34
TSHR P16473 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ALOX15 P16050 1/20 0.33
SIGMAR1 Q99720 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

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
SCHEMBL2509317 0.98 HRH3 (0.48) HRH3MAPTALDH1A1L3MBTL1HRH1
SCHEMBL27820917 0.96 HRH3 (0.40) HRH3MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2503852 0.92 GNAI3 (0.37) HRH3KDM4ESIGMAR1
SCHEMBL2506351 0.89 HRH3 (0.38) HRH3MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2506829 0.87 HRH3 (0.43) HRH3MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2505959 0.87 HRH3 (0.41) HRH3MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2506280 0.86 HRH3 (0.47) HRH3MAPTALDH1A1L3MBTL1HRH1
SCHEMBL27840173 0.85 HRH3 (0.33) HRH3CARM1PRMT6PRMT8
SCHEMBL2510599 0.80 GNAI3 (0.31)
SCHEMBL2507512 0.80 HRH3 (0.39) HRH3MAPTALDH1A1L3MBTL1HRH1

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 3 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
CN-102206304-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL CO 2011-10-05 CN disclosed