SCHEMBL27419230

SCHEMBL27419230

CC(=O)OC(C)(C)COC[C@H](C)CC(=N)C(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
GPR88 Q9GZN0 10/20 0.33
TACR1 P25103 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4527231 0.73 KIF11 (0.36)
SCHEMBL4537870 0.69 GAA (0.35) GAA
SCHEMBL27561236 0.68 PTGS2 (0.42)
SCHEMBL27414979 0.67 GAA (0.32) GAA
SCHEMBL27537707 0.67 GAA (0.32) GAA
SCHEMBL27746556 0.65 GPR88 (0.35) GPR88
SCHEMBL29360497 0.64 ALDH1A1 (0.50) GAA
SCHEMBL9528642 0.64 RIPK1 (0.65) MTNR1AMTNR1B
SCHEMBL28802500 0.63 CTSK (0.36) GPR88GAA
SCHEMBL17574069 0.63 GAA (0.48) GAA

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
CN-1098849-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-01-15 CN disclosed
CN-1227225-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-09-01 CN disclosed