SCHEMBL6508260

SCHEMBL6508260

CCCCCOc1ccc(-c2cccc(CCC(N)(CO)CO)c2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.61
TNNC1 P63316 5/20 0.46
SGPL1 O95470 1/20 0.46
S1PR4 O95977 1/20 0.46
GPR183 P32249 1/20 0.46
CERS2 Q96G23 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN11 Q06124 1/20 0.45
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL6507062 0.99 S1PR1 (0.60) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL6527719 0.97 S1PR1 (0.65) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL6529129 0.87 S1PR1 (0.78) S1PR1TNNC1SGPL1S1PR4GPR183
Hydrochloric Acid SCHEMBL6507340 0.86 S1PR1 (0.76) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL6504336 0.84 S1PR1 (0.57) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL6501156 0.84 S1PR1 (0.52) S1PR1S1PR3SMN1; SMN2
SCHEMBL6508458 0.82 S1PR1 (0.59) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL6507059 0.80 S1PR1 (0.51) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL6528193 0.79 S1PR1 (0.70) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL6506651 0.79 S1PR1 (0.45) S1PR1S1PR3GLASMN1; SMN2PTPN11

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