Sugi Predict

Sugi Predict / Compounds / SCHEMBL855208

SCHEMBL855208

SCHEMBL855208

CCOC(=O)[C@H](C)OC(=O)C1C(C(=O)O[C@@H](C)C(=O)OCC)[C@@H]2C=C[C@H]1C21CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FPR2 P25090 17/20 0.35
▸ FPR3 P25089 14/20 0.35
▸ PKM P14618 1/20 0.32

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
SCHEMBL2683203 1.00 SMN1; SMN2 (0.37) SMN1; SMN2FPR2FPR3PKM
SCHEMBL16674043 1.00 SMN1; SMN2 (0.37) SMN1; SMN2FPR2FPR3PKM
SCHEMBL16377662 0.95 PKM (0.39) SMN1; SMN2FPR2FPR3PKM
SCHEMBL2683926 0.77 PPM1B (0.47) SMN1; SMN2FPR2FPR3PKM
SCHEMBL10224384 0.77 PPM1B (0.47) SMN1; SMN2FPR2FPR3PKM
SCHEMBL2685419 0.77 PPM1B (0.47) SMN1; SMN2FPR2FPR3PKM
SCHEMBL2682902 0.77 PPM1B (0.47) SMN1; SMN2FPR2FPR3PKM
SCHEMBL14899318 0.68 ALDH1A1 (0.47) SMN1; SMN2
SCHEMBL6899724 0.68 ALDH1A1 (0.47) SMN1; SMN2
SCHEMBL6900291 0.67 ALDH1A1 (0.42) —

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
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 — — EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 — — WO disclosed