SCHEMBL930891

SCHEMBL930891

C=C(C)C(=O)OCCCCCCCCCCCC.C=CCOC(=O)C(=C)C

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.77
THRB P10828 1/20 0.46
NAAA Q02083 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CES2 O00748 1/20 0.40
CYP3A4 P08684 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9788553 1.00 TSHR (0.77) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL15130313 0.98 TSHR (0.74) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL7997856 0.93 TSHR (0.66) TSHRTHRBNAAAPOLBAPEX1
Ethylene SCHEMBL8920114 0.90 TSHR (0.62) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL29114660 0.90 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL2158706 0.90 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL31069706 0.90 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL30864383 0.90 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL30874170 0.90 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL2352256 0.90 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867603-B2 Coextruded toner receiver layer for electrophotography EASTMAN KODAK COMPANY (US) 2011-01-11 US disclosed
WO-2006060218-A2 COEXTRUDED TONER RECEIVER LAYER FOR ELECTROPHOTOGRAPHY EASTMAN KODAK COMPANY (US) 2006-06-08 WO disclosed
US-20060115664-A1 Coextruded toner receiver layer for electrophotography EASTMAN KODAK COMPANY 2006-06-01 US disclosed