SCHEMBL11903485

SCHEMBL11903485

CC[C@H](C)COc1ccc([C@@H](N)C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
GPR88 Q9GZN0 17/20 0.51
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6388679 0.82 PARP10 (0.58) ALDH1A1TSHR
SCHEMBL15121578 0.78 FFAR1 (0.54) FFAR1GPR88ALDH1A1TSHR
SCHEMBL2498164 0.78 FFAR1 (0.48) FFAR1GPR88ALDH1A1
SCHEMBL2498163 0.78 FFAR1 (0.48) FFAR1GPR88ALDH1A1
SCHEMBL13560360 0.77 FFAR1 (0.53) FFAR1GPR88ALDH1A1TSHR
SCHEMBL13560359 0.77 FFAR1 (0.53) FFAR1GPR88ALDH1A1TSHR
Hydrochloric Acid SCHEMBL2523106 0.77 FFAR1 (0.52) FFAR1GPR88ALDH1A1TSHR
SCHEMBL10845631 0.77 MMP9 (0.64) TSHR
SCHEMBL13706519 0.77 FFAR1 (0.63) FFAR1GPR88ALDH1A1TSHR
SCHEMBL15121855 0.76 FFAR1 (0.51) FFAR1GPR88ALDH1A1TSHR

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-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed