SCHEMBL11340641

SCHEMBL11340641

CCCCCCCCCCCCCCCc1cccc(NC(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.60
S1PR4 O95977 3/20 0.60
S1PR5 Q9H228 3/20 0.60
S1PR3 Q99500 2/20 0.60
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
PLK1 P53350 1/20 0.49
GHSR Q92847 1/20 0.48

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
SCHEMBL77257 1.00 S1PR1 (0.60) S1PR1S1PR4S1PR5S1PR3PPARG
SCHEMBL6836848 0.94 S1PR1 (0.53) S1PR1S1PR4S1PR5S1PR3GRIN2D
SCHEMBL8883356 0.88 SIGMAR1 (0.62) S1PR1S1PR4S1PR5S1PR3GRIN2D
SCHEMBL10762816 0.87 S1PR1 (0.58) S1PR1S1PR4S1PR5S1PR3PPARG
SCHEMBL4811926 0.85 S1PR1 (0.57) S1PR1S1PR4S1PR5S1PR3PPARG
SCHEMBL13483465 0.85 S1PR1 (0.56) S1PR1S1PR4S1PR5S1PR3LPL
SCHEMBL5281907 0.85 CYP4F2 (0.52) S1PR1S1PR4S1PR5S1PR3GRIN2D
SCHEMBL2096578 0.84 S1PR1 (0.58) S1PR1S1PR4S1PR5S1PR3PPARG
SCHEMBL2090290 0.84 S1PR1 (0.58) S1PR1S1PR4S1PR5S1PR3PPARG
SCHEMBL6370479 0.83 S1PR1 (0.55) S1PR1S1PR4S1PR5S1PR3PPARG

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-4275148-A THIO SUBSTITUTED PYRAZOLINES AS MAGENTA COUPLERS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-06-23 US disclosed