SCHEMBL8027802

SCHEMBL8027802

C=CCOC(=O)CS(=O)(=O)O.CCCCCCCCCCCCOC(=O)CS(=O)(=O)O.[Na]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
NAAA Q02083 1/20 0.47
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 2/20 0.41
DGKA P23743 1/20 0.40
HTR2C P28335 1/20 0.40
HPGD P15428 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
EPHX1 P07099 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 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
SCHEMBL8423422 0.88 NAAA (0.60) TSHRNAAARAD52NPSR1FAAH
SCHEMBL38650958 0.88 NAAA (0.60) TSHRNAAARAD52NPSR1FAAH
SCHEMBL9437256 0.86 NAAA (0.62) TSHRNAAARAD52NPSR1FAAH
SCHEMBL18140142 0.86 NAAA (0.62) TSHRNAAARAD52NPSR1FAAH
SCHEMBL18140111 0.86 NAAA (0.62) TSHRNAAARAD52NPSR1FAAH
SCHEMBL18139769 0.86 NAAA (0.62) TSHRNAAARAD52NPSR1FAAH
SCHEMBL7588972 0.86 NAAA (0.62) TSHRNAAARAD52NPSR1FAAH
SCHEMBL334070 0.86 NAAA (0.62) TSHRNAAARAD52NPSR1FAAH
SCHEMBL6128331 0.86 NAAA (0.62) TSHRNAAARAD52NPSR1FAAH
SCHEMBL18140311 0.86 NAAA (0.62) TSHRNAAARAD52NPSR1FAAH

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-0986365-A1 STRIPED DENTIFRICE STABLE TO COLOR BLEEDING Colgate-Palmolive Company (US) 2000-03-22 EP disclosed
WO-1998051270-A1 STRIPED DENTIFRICE STABLE TO COLOR BLEEDING COLGATE-PALMOLIVE COMPANY (US) 1998-11-19 WO disclosed