SCHEMBL4451843

SCHEMBL4451843

C=CC(NCC(CCC)N[Si](OC)(OC)OC)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ADRB2 P07550 2/20 0.30

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
SCHEMBL305779 0.78 KMT2A (0.35) ALDH1A1CYP1A2CYP2C9TSHRMAPK1
SCHEMBL4841608 0.70 TAAR1 (0.40) AOC3ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL336304 0.69 HRH1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL11969894 0.68 HRH1 (0.33)
SCHEMBL7783746 0.68 MTOR (0.34) ALDH1A1TSHRMAPTHTT
SCHEMBL7782018 0.68 ALDH1A1 (0.35) ALDH1A1TSHRMAPTHTT
SCHEMBL27154559 0.67 TAS1R3 (0.31)
SCHEMBL1453093 0.67 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL10579445 0.67 ALDH1A1 (0.36) ALDH1A1TSHRMAPTHTT
SCHEMBL1536138 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7472732-B2 Rubber composition and competition tire using the same SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2009-01-06 US disclosed
EP-1323774-B1 Rubber composition and tire using the same SUMITOMO RUBBER IND (JP) 2005-10-05 EP disclosed
US-20050096424-A1 Comprising 10-100 parts by weight carbon black having nitrogen-adsorbing specific surface area of 160-300 m2/g, and 15-70 parts by weight oil, based on 100 parts by weight of rubber comprising 20-95% by weight styrene butadiene copolymer and 5-80% by weight butadiene rubber, and silica; motocross tire SUMITOMO RUBBER INDUSTRIES, LTD. 2005-05-05 US disclosed
US-20030134960-A1 Rubber composition and tire using the same SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-17 US disclosed
EP-1323774-A1 Rubber composition and tire using the same SUMITOMO RUBBER INDUSTRIES LIMITED (JP) 2003-07-02 EP disclosed