SCHEMBL6834313

SCHEMBL6834313

CCCCc1cc(C)cc(CCCC)c1OP(=O)(Oc1c(CCCC)cc(C)cc1CCCC)OP(=O)(O)O.OCC(CO)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.34
S1PR3 Q99500 8/20 0.34
S1PR4 O95977 4/20 0.32
S1PR2 O95136 3/20 0.32
SRC P12931 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR5 Q9H228 3/20 0.31

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
SCHEMBL21643073 0.77 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR2MAPT
SCHEMBL1537344 0.76 HSPA5 (0.36) SRCALDH1A1SMN1; SMN2
SCHEMBL456733 0.76 SRC (0.45) S1PR1S1PR3S1PR4S1PR2SRC
Pyrophosphoric Acid SCHEMBL4582270 0.74 S1PR1 (0.33) S1PR1S1PR3S1PR4S1PR2ALDH1A1
SCHEMBL4946875 0.73 THRA (0.45) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL11329631 0.72 HSPA5 (0.56) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL15380739 0.72 INPPL1 (0.35) SRCALDH1A1MAPTSMN1; SMN2
SCHEMBL4582266 0.72 S1PR1 (0.34) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL27750960 0.69 NPC1 (0.41) S1PR1S1PR3S1PR4S1PR2SRC
SCHEMBL23610386 0.69 HSPA5 (0.39) S1PR1S1PR3ALDH1A1SMN1; SMN2

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
US-6746760-B2 Gas adsorption sheet and air-purifying filter TOYOBO CO., LTD (JP) 2004-06-08 US disclosed
US-20030207635-A1 Gas adsorption sheet and air-purifying filter MINEMURA SHINICHI (JP) 2003-11-06 US disclosed