SCHEMBL28898673

SCHEMBL28898673

CONC(=O)C(C)(C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 5/20 0.48
RIPK1 Q13546 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MMP1 P03956 2/20 0.44
MMP13 P45452 2/20 0.44
MMP9 P14780 1/20 0.44
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL19407345 0.85 SMN1; SMN2 (0.49) MMP8RIPK1SMN1; SMN2HIF1ASLC6A2
SCHEMBL293540 0.80 MMP8 (0.51) MMP8RIPK1SMN1; SMN2HIF1ASLC6A2
Ammonia Solution, Strong SCHEMBL9134412 0.79 PTPRB (0.50) MMP8RIPK1SMN1; SMN2HIF1ASLC6A2
Carbamic Acid SCHEMBL27809934 0.78 PTPRB (0.47) MMP8RIPK1SMN1; SMN2HIF1ASLC6A2
SCHEMBL8759 0.77 SLC6A2 (0.56) MMP8RIPK1SMN1; SMN2HIF1ASLC6A2
SCHEMBL6017676 0.77 MMP8 (0.67) MMP8RIPK1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL3136989 0.76 SLC6A2 (0.54) MMP8RIPK1SMN1; SMN2HIF1ASLC6A2
SCHEMBL1147656 0.75 SLC6A2 (0.52) MMP8RIPK1SMN1; SMN2HIF1ASLC6A2
SCHEMBL517462 0.75 SMN1; SMN2 (0.57) MMP8RIPK1SMN1; SMN2HIF1ASLC6A2
Phentermine SCHEMBL8096007 0.75 SLC6A2 (0.70) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385877-B Dihydrofuran-2-one compound and preparation method thereof 嘉兴学院 2024-02-23 CN claimed
CN-115385877-A Dihydrofuran-2-ketone compound and preparation method thereof 嘉兴学院 2022-11-25 CN claimed
CN-115385877-B Dihydrofuran-2-one compound and preparation method thereof 嘉兴学院 2024-02-23 CN disclosed
CN-115385877-A Dihydrofuran-2-ketone compound and preparation method thereof 嘉兴学院 2022-11-25 CN disclosed