SCHEMBL5012163

SCHEMBL5012163

CCCCCC[SiH2]O[SiH2]CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
SLC22A1 O15245 3/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A2 O15244 1/20 0.38
DNM1 Q05193 4/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL28966482 1.00 TSHR (0.47) TSHRTHRBSLC22A1ALDH1A1HSD17B10
SCHEMBL18600561 0.97 TSHR (0.44) TSHRTHRBSLC22A1ALDH1A1HSD17B10
SCHEMBL2143395 0.97 TSHR (0.41) TSHRTHRBSLC22A1ALDH1A1HSD17B10
SCHEMBL4411318 0.92 TSHR (0.40) TSHRTHRBSLC22A1ALDH1A1HSD17B10
SCHEMBL9840435 0.88 TSHR (0.38) TSHRTHRBSLC22A1ALDH1A1HSD17B10
SCHEMBL7546695 0.87 TSHR (0.40) TSHRTHRBSLC22A1ALDH1A1HSD17B10
SCHEMBL11467631 0.83 TSHR (0.36) TSHRTHRB
SCHEMBL6545836 0.82 TSHR (0.47) TSHRTHRBSLC22A1ALDH1A1HSD17B10
SCHEMBL1000117 0.81 TSHR (0.35) TSHRTHRB
SCHEMBL9463372 0.81 TSHR (0.35) TSHRTHRB

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
EP-1896480-A1 CRIPOWELLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS Bayer CropScience Aktiengesellschaft (DE) 2008-03-12 EP disclosed
WO-2006136309-A1 CRIPOWELLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed
EP-1412346-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES Bayer CropScience AG (DE) 2004-04-28 EP disclosed
WO-2003010155-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-02-06 WO disclosed
US-6238931-B1 PARTICLES WITH ENERGY DONORS AND ACCEPTORS AS WELL AS PROTEINS, POLYPEPTIDES, NUCLEIC ACIDS, OR LIGAND ANALOGUES BOUND TO SURFACE; WITH REDUCED QUENCHING AND IMPROVED FLUORESCENCE INTENSITIES; IMMUNOASSAYS BIOSITE DIAGNOSTICS, INC. 2001-05-29 US disclosed