SCHEMBL2446792

SCHEMBL2446792

O=CCc1ccccc1C1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
NAAA Q02083 1/20 0.42
PTGS2 P35354 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
EPHX2 P34913 1/20 0.36
CEL P19835 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
CXCR4 P61073 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL1515856 1.00 PTGDR2 (0.43) PTGDR2NAAAPTGS2NPC1RAB9A
SCHEMBL2442841 0.98 PTGDR2 (0.41) PTGDR2NAAAPTGS2NPC1RAB9A
SCHEMBL17594282 0.91 SLC6A2 (0.39) PTGDR2NAAANPC1RAB9ASLC6A2
SCHEMBL251314 0.82 PTGDR2 (0.40) PTGDR2NAAAPTGS2SLC6A2SLC6A4
SCHEMBL18668719 0.80 KMT2A (0.40) PTGDR2NAAAPTGS2SLC6A2SLC6A4
SCHEMBL27468638 0.79 PTGDR2 (0.46) PTGDR2NAAAPTGS2SLC6A2SLC6A4
SCHEMBL11265348 0.79 PTGDR2 (0.42) PTGDR2NAAAPTGS2SLC6A2SLC6A4
SCHEMBL5821254 0.79 PTGDR2 (0.46) PTGDR2NAAAPTGS2SLC6A2SLC6A4
Formic Acid SCHEMBL27918099 0.79 PTGDR2 (0.44) PTGDR2NAAAPTGS2NPC1RAB9A
SCHEMBL10049306 0.78 PTGDR2 (0.40) PTGDR2NAAAPTGS2NPC1RAB9A

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-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed