SCHEMBL20715652

SCHEMBL20715652

CCCCCC(C)(Cc1cccc(C[C@@](C)(CCCCC)C(=O)O)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.48
PPARA Q07869 4/20 0.48
GGPS1 O95749 1/20 0.42
AMPD2 Q01433 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
AMPD3 Q01432 1/20 0.40
GAA P10253 1/20 0.39
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39

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
SCHEMBL19182947 1.00 PPARG (0.48) PPARGPPARAGGPS1AMPD2MEN1
SCHEMBL19182977 0.95 PPARG (0.46) PPARGPPARAGGPS1AMPD2MEN1
SCHEMBL3271547 0.90 MMP1 (0.49) PPARGPPARAMEN1KMT2AMMP1
SCHEMBL3271344 0.87 SMN1; SMN2 (0.46) PPARGPPARAKMT2AMMP1MMP9
SCHEMBL19183326 0.83 PPARA (0.46) PPARGPPARAMEN1KMT2AGAA
SCHEMBL28755706 0.82 PPARA (0.49) PPARGPPARAMMP1MMP9MMP13
SCHEMBL3159710 0.80 SMN1; SMN2 (0.48) PPARGPPARAMMP1MMP9MMP13
SCHEMBL28441940 0.79 PPARG (0.53) PPARGPPARAMEN1KMT2A
SCHEMBL20715968 0.78 CYP1A2 (0.41) PPARGPPARAMEN1KMT2AGAA
SCHEMBL9431214 0.78 ALDH1A1 (0.47) MEN1KMT2AGAA

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
WO-2019025575-A1 PROCESSES FOR PREPARING COMPLEXES COMPRISING RHODIUM(II) AND CARBOXYLATE LIGANDS STOCKHOLM UNIVERSITY HOLDING AB (SE) 2019-02-07 WO disclosed