SCHEMBL812351

SCHEMBL812351

COB(OC)ONc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CTSD P07339 1/20 0.36
PTGS2 P35354 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX12 P18054 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2B P41595 1/20 0.35
IDO1 P14902 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL2075844 0.85 ALDH1A1 (0.43) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL44951 0.72
SCHEMBL2075846 0.71 TSHR (0.42) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL28331326 0.71 GAA (0.33) TSHRIDO1HPGD
Hydrochloric Acid SCHEMBL892263 0.70 KCNH3 (0.47) TSHRTDP1ALDH1A1HSD17B10CTSD
Fluoride SCHEMBL28139765 0.70 PHGDH (0.46) TSHRTDP1ALDH1A1HSD17B10CTSD
Hydrochloric Acid SCHEMBL6761971 0.70 KCNH3 (0.47) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL28771750 0.70 PHGDH (0.46) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL9241215 0.70 KCNH3 (0.43) TSHRTDP1ALDH1A1HSD17B10CTSD
Bicarbonate SCHEMBL10803241 0.67 TSHR (0.50) TSHRALDH1A1HSD17B10ALOX15MAPK1

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
EP-2344551-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF Basell Polyolefine GmbH (DE) 2011-07-20 EP disclosed
WO-2010034520-A1 IMPACT RESISTANT LLDPE COMPOSITION AND FILMS MADE THEREOF BASELL POLYOLEFINE GMBH (DE) 2010-04-01 WO disclosed