SCHEMBL855025

SCHEMBL855025

COC(=O)[C@H]1C(C(=O)NCc2ccc(C(C)=O)o2)[C@@H]2CC[C@H]1C21CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 0.66
FPR3 P25089 11/20 0.66
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GNRHR P30968 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2684098 1.00 FPR2 (0.66) FPR2FPR3ALDH1A1TP53GAA
SCHEMBL2682456 0.89 FPR2 (0.68) FPR2FPR3ALDH1A1CYP2C19KMT2A
SCHEMBL857340 0.85 FPR2 (0.66) FPR2FPR3
SCHEMBL2682169 0.85 FPR2 (0.66) FPR2FPR3
SCHEMBL2682529 0.80 FPR2 (1.00) FPR2FPR3
SCHEMBL10224366 0.80 FPR2 (1.00) FPR2FPR3
SCHEMBL15227061 0.76 EPHX2 (0.47) FPR2FPR3KMT2A
SCHEMBL2681903 0.76 FPR2 (0.68) FPR2FPR3ALDH1A1
SCHEMBL855165 0.76 FPR2 (0.68) FPR2FPR3ALDH1A1
SCHEMBL15227462 0.72 FPR2 (0.49) FPR2FPR3KMT2A

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
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