SCHEMBL29220692

SCHEMBL29220692

CC(C)(O)C(C)(C)O.OB(O)Oc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PPARG P37231 1/20 0.38
HSD11B1 P28845 2/20 0.37
ATM Q13315 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SSTR4 P31391 3/20 0.35
SSTR1 P30872 2/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL30198749 0.91 PPARG (0.42) RXRARXRBRXRGPPARGHSD11B1
SCHEMBL1070284 0.91 PPARG (0.42) RXRARXRBRXRGPPARGHSD11B1
SCHEMBL28978849 0.89 PPARG (0.41) RXRARXRBRXRGPPARGHSD11B1
SCHEMBL2207380 0.81 ALDH1A1 (0.45) RXRARXRBRXRGATM
SCHEMBL31519054 0.81 ALDH1A1 (0.45) RXRARXRBRXRGATM
SCHEMBL30586460 0.80 ENPP2 (0.34)
SCHEMBL1906335 0.79 PPARG (0.42) RXRARXRBRXRGPPARGHSD11B1
SCHEMBL30006905 0.79 PPARG (0.42) RXRARXRBRXRGPPARGHSD11B1
SCHEMBL30514778 0.79 PPARG (0.35) RXRARXRBRXRGPPARGHSD11B1
SCHEMBL28307666 0.79 MRGPRX1 (0.40) RXRARXRBRXRGPPARGHSD11B1

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
CN-118063372-A Preparation method of pyrrole amide compound and intermediate thereof 年衍药业(珠海)有限公司 2024-05-24 CN disclosed