SCHEMBL3752170

SCHEMBL3752170

CCCCO[Si](OC)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.36
TSHR P16473 6/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NAAA Q02083 1/20 0.30
THRB P10828 1/20 0.30
DGKA P23743 1/20 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
SCHEMBL339180 0.85 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1ATM
Hydrochloric Acid SCHEMBL9709358 0.82 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1ATM
SCHEMBL21812049 0.80 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1ATM
SCHEMBL17965931 0.77 NAAA (0.42) TSHRCA1CA2NAAATHRB
SCHEMBL19991484 0.77
SCHEMBL27503961 0.76
Hexane SCHEMBL29242334 0.76 TSHR (0.47) ALDH1A1TSHRCYP3A4LMNATHRB
SCHEMBL23365026 0.74 TSHR (0.47) TSHRCA1CA2NAAATHRB
SCHEMBL23365060 0.74 TSHR (0.47) TSHRCA1CA2NAAATHRB
SCHEMBL3814404 0.74 TSHR (0.47) TSHRCA1CA2NAAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297049-A1 LIGHTENING AND/OR DYEING OF HUMAN KERATIN FIBRES BY MEANS OF A COMPOSITION COMPRISING A PARTICULAR AMINO SILICON COMPOUND AND COMPOSITION AND DEVICE L'OREAL S.A. (FR) 2010-11-25 US disclosed