SCHEMBL10440740

SCHEMBL10440740

CCC(Br)(Oc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.42
PPARA Q07869 9/20 0.41
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PPARD Q03181 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL406332 0.81 PPARG (0.36) PPARGPPARAALOX15NPSR1L3MBTL1
SCHEMBL1805352 0.78 PPARG (0.43) PPARGPPARAALOX15NPSR1L3MBTL1
SCHEMBL23754112 0.78 PPARG (0.45) PPARGPPARAALOX15NPSR1L3MBTL1
SCHEMBL1960387 0.77 PPARG (0.62) PPARGPPARANPSR1L3MBTL1MEN1
SCHEMBL17653510 0.77 PPARG (0.42) PPARGPPARAALOX15NPSR1L3MBTL1
SCHEMBL4752621 0.77 PPARG (0.42) PPARGPPARAALOX15NPSR1L3MBTL1
SCHEMBL11763480 0.77 PPARG (0.44) PPARGPPARAALOX15NPSR1L3MBTL1
SCHEMBL11429585 0.76 HPGD (0.63) L3MBTL1MEN1MAPTKMT2AALDH1A1
SCHEMBL29564565 0.76 PPARG (0.41) PPARGPPARAALOX15NPSR1L3MBTL1
SCHEMBL3009494 0.76 ALDH1A1 (0.42) PPARGPPARAALOX15NPSR1L3MBTL1

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-0381913-A1 Benzohydroxamic-acid derivatives SANDOZ AG (CH) 1990-08-16 EP disclosed