SCHEMBL6508458

SCHEMBL6508458

CCCCOc1ccc(-c2cccc(CCC(N)(CO)CO)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.59
S1PR3 Q99500 4/20 0.49
TNNC1 P63316 5/20 0.49
SGPL1 O95470 1/20 0.49
S1PR4 O95977 1/20 0.49
GPR183 P32249 1/20 0.49
CERS2 Q96G23 1/20 0.49
S1PR5 Q9H228 1/20 0.49
BCL2 P10415 1/20 0.46
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL6504336 0.98 S1PR1 (0.57) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6507059 0.93 S1PR1 (0.51) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6528364 0.89 S1PR1 (0.61) S1PR1S1PR3TNNC1SGPL1S1PR4
Hydrochloric Acid SCHEMBL6526756 0.88 S1PR1 (0.60) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6502535 0.86 S1PR1 (0.63) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6527719 0.85 S1PR1 (0.65) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6529263 0.85 S1PR1 (0.50) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6528193 0.85 S1PR1 (0.70) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6508336 0.85 S1PR1 (0.47) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6502451 0.84 S1PR1 (0.45) S1PR1S1PR3BCL2

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