SCHEMBL4525517

SCHEMBL4525517

CCCCNCC(C)[SiH](O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.39
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 1/20 0.38
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
EPHX1 P07099 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 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
SCHEMBL4516329 0.94 TSHR (0.48) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL4536262 0.92 ANPEP (0.47) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL4520608 0.92 ANPEP (0.47) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL4537371 0.92 ANPEP (0.47) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL4533777 0.81 TSHR (0.42) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL4522576 0.75 TSHR (0.52) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL339967 0.75
SCHEMBL9407527 0.74 TSHR (0.52) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL271458 0.74
SCHEMBL16192533 0.74 TSHR (0.38) TSHRALDH1A1ANPEPERAP2ADH1B

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-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 US disclosed