SCHEMBL6506538

SCHEMBL6506538

CCCCCCc1ccc(-c2ccc(CCCCC(N)(CO)CO[PH2]=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.60
SPHK1 Q9NYA1 1/20 0.60
S1PR1 P21453 12/20 0.58
S1PR3 Q99500 9/20 0.58
S1PR4 O95977 7/20 0.58
S1PR5 Q9H228 5/20 0.58
S1PR2 O95136 5/20 0.58
TNNC1 P63316 5/20 0.58
SGPL1 O95470 1/20 0.58
GPR183 P32249 1/20 0.58
CERS2 Q96G23 1/20 0.58
ENPP2 Q13822 1/20 0.53

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
SCHEMBL6507624 1.00 SPHK2 (0.60) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6502032 0.95 SPHK2 (0.67) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL80477 0.91 SPHK2 (0.72) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6503030 0.90 S1PR1 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6499253 0.85 S1PR1 (0.79) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6507074 0.85 S1PR1 (0.79) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6506536 0.83 S1PR1 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6507617 0.83 S1PR1 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6526970 0.83 S1PR1 (0.77) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6503014 0.82 S1PR1 (0.84) S1PR1S1PR3S1PR4S1PR5S1PR2

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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO claimed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed