SCHEMBL15779727

SCHEMBL15779727

CCCCCCCCCCCCc1ccc2c(OC)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
PLK1 P53350 1/20 0.44
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
SLC2A1 P11166 1/20 0.43

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
SCHEMBL28009344 0.83 S1PR1 (0.44) PPARAPPARGS1PR1S1PR3LPL
SCHEMBL181330 0.82 PPARG (0.53) PPARAPPARGPTGS2S1PR1S1PR3
SCHEMBL10413204 0.82 PPARG (0.51) PPARAPPARG
SCHEMBL9652570 0.82 PPARG (0.51) PPARAPPARG
SCHEMBL2665741 0.81 CYP1A2 (0.50) PTGS2
SCHEMBL11230398 0.80 S1PR1 (0.56) S1PR1S1PR3LPLLIPG
SCHEMBL14756186 0.80 KDM4E (0.57)
SCHEMBL4059055 0.80 HTR1B (0.44) S1PR1S1PR3
Hexadecane SCHEMBL23068591 0.79 HTR1B (0.54) ALOX5PTGS2
SCHEMBL5749210 0.79 PARP1 (0.49) S1PR1S1PR3LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8746869-B2 Ink for inkjet recording, inkjet recording method using the same, ink cartridge housing the same, and recorded matter RICOH COMPANY, LTD. (JP) 2014-06-10 US disclosed