SCHEMBL15079100

SCHEMBL15079100

CC(C)(c1cc(I)c(OCCCO)c(I)c1)c1cc(I)c(OCC2CO2)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 1/20 0.47
PPARG P37231 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
PDGFRA P16234 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
SCHEMBL13099338 0.90 ALDH1A1 (0.55) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL17151203 0.86 ALDH1A1 (0.46) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL15838868 0.82 ALDH1A1 (0.42) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL31276451 0.82 ALDH1A1 (0.47) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL16693565 0.78 ALDH1A1 (0.72) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2830269 0.77 ALDH1A1 (0.60) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14473423 0.76 ALDH1A1 (0.41) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL31215 0.76 ALDH1A1 (0.78) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL31276450 0.73 MEN1 (0.36) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL19354028 0.73 ALDH1A1 (0.53) TSHRALDH1A1TP53MAPTHPGD

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-8575238-B2 X-ray opaque coating RAYTHEON COMPANY (US) 2013-11-05 US disclosed
US-20130165546-A1 X-RAY OPAQUE COATING RAYTHEON COMPANY (US) 2013-06-27 US disclosed