SCHEMBL31435366

SCHEMBL31435366

CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(OC(C)C)c(Cl)c3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.72
S1PR3 Q99500 11/20 0.69
S1PR4 O95977 1/20 0.60
S1PR5 Q9H228 1/20 0.60

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
SCHEMBL31435319 0.92 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1873393 0.90 S1PR1 (0.72) S1PR1S1PR3
SCHEMBL1874100 0.88 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1875727 0.85 S1PR1 (0.87) S1PR1S1PR3S1PR4S1PR5
SCHEMBL16290136 0.84 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1873204 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1872653 0.83 S1PR1 (0.88) S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL949117 0.83 S1PR1 (0.98) S1PR1S1PR3
SCHEMBL16290131 0.82 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1873254 0.82 S1PR1 (0.84) S1PR1S1PR3

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed