SCHEMBL4372092

SCHEMBL4372092

COC(CNC(=O)Oc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)n(C[C@H]2CCCO2)c1C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.37
CNR2 P34972 13/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4380548 0.91 TSHR (0.38) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4369418 0.91 TSHR (0.38) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4374042 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4382724 0.86 TSHR (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4375460 0.86 TSHR (0.40) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4376908 0.85 CNR2 (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4371357 0.84 KDM4E (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4371354 0.84 CNR2 (0.44) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4382397 0.82 CNR2 (0.42) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL4374299 0.82 CNR2 (0.42) ALDH1A1KDM4EGAAHPGDGLA

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-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed