SCHEMBL1871016

SCHEMBL1871016

C=CCOC(=O)C(O)CCCCC.C=CCOC(=O)C(O)CCCCC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 1/20 0.48
ZDHHC7 Q9NXF8 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
ABCB1 P08183 1/20 0.38
LTA4H P09960 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL154641 1.00 TSHR (0.54) TSHRGPR84FFAR1ZDHHC7TDP1
SCHEMBL671482 0.98 TSHR (0.57) TSHRGPR84FFAR1ZDHHC7TDP1
SCHEMBL8771126 0.98 TSHR (0.57) TSHRGPR84FFAR1ZDHHC7TDP1
SCHEMBL1685294 0.95 TSHR (0.51) TSHRGPR84FFAR1TDP1HPGD
SCHEMBL6131095 0.92 TSHR (0.47) TSHRGPR84FFAR1ZDHHC7TDP1
Decylacetate SCHEMBL21837279 0.88 TSHR (0.48) TSHRGPR84FFAR1HPGD
SCHEMBL9323925 0.87 TSHR (0.46) TSHRGPR84FFAR1TDP1HPGD
SCHEMBL5403623 0.86 TSHR (0.49) TSHRGPR84FFAR1ZDHHC7ABCB1
SCHEMBL1081673 0.84 TSHR (0.50) TSHRGPR84FFAR1ZDHHC7TDP1
SCHEMBL28663773 0.84 TSHR (0.56) TSHRGPR84FFAR1ZDHHC7TDP1

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-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed