SCHEMBL22227808

SCHEMBL22227808

C=CCOC(=O)C(CCCCCCCCCCCCCCCC)(OO)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
EPHX1 P07099 1/20 0.36
NAAA Q02083 1/20 0.35
HPGD P15428 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLA2G2C Q5R387 1/20 0.32
CES2 O00748 1/20 0.32
DGKA P23743 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
SCHEMBL22227807 0.81 TSHR (0.49) TSHREPHX1NAAAHPGDHCAR2
SCHEMBL580750 0.76 NAAA (0.39) TSHREPHX1NAAAHCAR2CES2
SCHEMBL28549680 0.76 TSHR (0.49) TSHREPHX1NAAAHPGDHCAR2
SCHEMBL28113313 0.76 TSHR (0.49) TSHREPHX1NAAAHPGDHCAR2
SCHEMBL2046546 0.75 TSHR (0.56) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL11650500 0.75 TSHR (0.56) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL15622016 0.75 TSHR (0.51) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL28554033 0.75 TSHR (0.54) TSHRHPGDMEN1MAPTKMT2A
SCHEMBL28560106 0.74 TSHR (0.47) TSHREPHX1NAAAHPGDHCAR2
SCHEMBL5438303 0.74 TSHR (0.54) TSHRNAAAHPGDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3682948-B1 COSMETIC O/W MASCARA COMPOSITIONS COMPRISING POLYURETHANE RESIN BOOTS CO PLC (GB) 2023-08-30 EP claimed
WO-2020147915-A1 COSMETIC O/W MASCARA COMPOSITIONS COMPRISING POLYURETHANE RESIN THE BOOTS COMPANY PLC (GB) 2020-07-23 WO claimed
EP-3682948-A1 COSMETIC O/W MASCARA COMPOSITIONS COMPRISING POLYURETHANE RESIN The Boots Company PLC (GB) 2020-07-22 EP claimed
EP-3682948-B1 COSMETIC O/W MASCARA COMPOSITIONS COMPRISING POLYURETHANE RESIN BOOTS CO PLC (GB) 2023-08-30 EP disclosed
WO-2020147915-A1 COSMETIC O/W MASCARA COMPOSITIONS COMPRISING POLYURETHANE RESIN THE BOOTS COMPANY PLC (GB) 2020-07-23 WO disclosed
EP-3682948-A1 COSMETIC O/W MASCARA COMPOSITIONS COMPRISING POLYURETHANE RESIN The Boots Company PLC (GB) 2020-07-22 EP disclosed