SCHEMBL6504336

SCHEMBL6504336

CCCCCOc1ccc(-c2cccc(CCC(N)(CO)CO)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.57
S1PR3 Q99500 6/20 0.50
TNNC1 P63316 5/20 0.50
S1PR4 O95977 3/20 0.50
S1PR5 Q9H228 2/20 0.50
SGPL1 O95470 1/20 0.50
GPR183 P32249 1/20 0.50
CERS2 Q96G23 1/20 0.50
RARB P10826 3/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL6508458 0.98 S1PR1 (0.59) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6507059 0.91 S1PR1 (0.51) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6528364 0.87 S1PR1 (0.61) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL6526756 0.86 S1PR1 (0.60) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6528193 0.85 S1PR1 (0.70) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6508260 0.84 S1PR1 (0.61) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6527330 0.84 S1PR1 (0.72) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6528009 0.84 S1PR1 (0.72) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6502535 0.84 S1PR1 (0.63) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6507062 0.84 S1PR1 (0.60) S1PR1S1PR3TNNC1S1PR4S1PR5

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 1 patent. 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 disclosed