SCHEMBL25991102

SCHEMBL25991102

CCC/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccccc1C

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.78
▸ S1PR3 Q99500 8/20 0.72
▸ S1PR4 O95977 1/20 0.59
▸ S1PR5 Q9H228 1/20 0.59

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
SCHEMBL25991150 0.88 S1PR3 (0.80) S1PR1S1PR3S1PR4S1PR5
SCHEMBL12315653 0.88 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL25991009 0.85 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5
SCHEMBL15477948 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL16130301 0.81 S1PR1 (0.73) S1PR1S1PR3S1PR4S1PR5
SCHEMBL23374910 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL16130300 0.81 S1PR1 (0.73) S1PR1S1PR3S1PR4S1PR5
SCHEMBL12315650 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL25991073 0.79 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL23395199 0.78 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5

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-2023152691-A1 PROCESS FOR THE PREPARATION OF PONESIMOD AND ITS INTERMEDIATES THEREOF METROCHEM API PVT LTD (IN) 2023-08-17 — — WO disclosed
Send feedback