SCHEMBL6508336

SCHEMBL6508336

CCCCOc1c(C)cc(-c2cccc(CCC(N)(CO)CO)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.47
TNNC1 P63316 6/20 0.46
S1PR3 Q99500 6/20 0.46
S1PR4 O95977 2/20 0.46
S1PR5 Q9H228 2/20 0.46
SGPL1 O95470 1/20 0.46
GPR183 P32249 1/20 0.46
CERS2 Q96G23 1/20 0.46
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
S1PR2 O95136 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6530540 0.87 S1PR1 (0.56) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6508458 0.85 S1PR1 (0.59) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6507059 0.85 S1PR1 (0.51) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6504336 0.83 S1PR1 (0.57) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6529263 0.82 S1PR1 (0.50) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6527719 0.80 S1PR1 (0.65) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6531791 0.79 S1PR1 (0.53) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6502535 0.78 S1PR1 (0.63) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6528193 0.77 S1PR1 (0.70) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6508260 0.77 S1PR1 (0.61) S1PR1TNNC1S1PR3S1PR4S1PR5

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