SCHEMBL27630640

SCHEMBL27630640

C=C(C)C(=O)OOP(=O)(OCCCC)OCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CYP3A4 P08684 2/20 0.47
LPAR3 Q9UBY5 7/20 0.46
LPAR2 Q9HBW0 6/20 0.46
LPAR1 Q92633 3/20 0.46
CES2 O00748 1/20 0.38
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CDC25A P30304 1/20 0.36
AGTR1 P30556 1/20 0.36
AKT1 P31749 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 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
SCHEMBL27611477 0.94 TSHR (0.51) TSHRCYP3A4LPAR3LPAR2LPAR1
SCHEMBL27611470 0.94 TSHR (0.51) TSHRCYP3A4LPAR3LPAR2LPAR1
SCHEMBL27611465 0.94 TSHR (0.51) TSHRCYP3A4LPAR3LPAR2LPAR1
SCHEMBL18043472 0.85 TSHR (0.54) TSHRLPAR3LPAR2LPAR1CES2
SCHEMBL6577522 0.85 TSHR (0.54) TSHRLPAR3LPAR2LPAR1CES2
SCHEMBL27785452 0.85 TSHR (0.54) TSHRLPAR3LPAR2LPAR1CES2
SCHEMBL22401201 0.85 TSHR (0.54) TSHRLPAR3LPAR2LPAR1CES2
SCHEMBL21051160 0.85 TSHR (0.54) TSHRLPAR3LPAR2LPAR1CES2
SCHEMBL28325466 0.83 TSHR (0.51) TSHRCYP3A4LPAR3LPAR2LPAR1
SCHEMBL29259528 0.83 TSHR (0.59) TSHRCYP3A4LPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101322676-B Dental coating kit KURARAY MEDICAL INC 2011-03-30 CN disclosed
CN-101322676-A Dental coating kit KURARAY MEDICAL INC (JP) 2008-12-17 CN disclosed
CN-100415199-C Dental coating kit KURARAY MEDICAL INC (JP) 2008-09-03 CN disclosed
CN-1703185-A Dental coating kit KURARAY MEDICAL INC (JP) 2005-11-30 CN disclosed