SCHEMBL6529807

SCHEMBL6529807

COc1ccc(-c2ccc(CCC(N)(CO)CO)cc2)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.47
TNNC1 P63316 5/20 0.47
S1PR3 Q99500 2/20 0.47
SGPL1 O95470 1/20 0.47
S1PR4 O95977 1/20 0.47
GPR183 P32249 1/20 0.47
CERS2 Q96G23 1/20 0.47
S1PR5 Q9H228 1/20 0.47
SPHK2 Q9NRA0 2/20 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
Hydrochloric Acid SCHEMBL6506542 0.99 S1PR1 (0.48) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL6529853 0.76 SLC13A5 (0.39)
SCHEMBL12336983 0.74 S1PR1 (0.49) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL6769062 0.72 ERN1 (0.48)
SCHEMBL6528871 0.72 S1PR1 (0.56) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL565320 0.71 S1PR1 (0.60) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL6528287 0.71 S1PR1 (0.68) S1PR1TNNC1S1PR3SGPL1S1PR4
Hydrochloric Acid SCHEMBL6530182 0.71 S1PR1 (0.56) S1PR1TNNC1S1PR3SGPL1S1PR4
Hydrochloric Acid SCHEMBL564931 0.71 HTR2A (0.42) S1PR1TNNC1S1PR3SGPL1S1PR4
Hydrochloric Acid SCHEMBL6506579 0.70 S1PR1 (0.62) S1PR1TNNC1S1PR3SGPL1S1PR4

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 claimed