SCHEMBL27008259

SCHEMBL27008259

Cc1occc(=O)c1C(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX5 P09917 2/20 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
SCHEMBL7570964 0.69
Maltol SCHEMBL901231 0.66 KDM4E (1.00) LMNAKDM4EGAAMAPK1SMN1; SMN2
Maltol SCHEMBL4815 0.66
SCHEMBL14640707 0.66 KDM4E (0.45) LMNAKDM4EGAAHPGDMAPK1
Maltol SCHEMBL23309785 0.65 KDM4E (0.95) LMNAKDM4EGAAMAPK1SMN1; SMN2
SCHEMBL2466435 0.65 LMNA (0.56) LMNAKDM4EGAAHTTSMN1; SMN2
Maltol SCHEMBL8004441 0.65 KDM4E (0.95) LMNAKDM4EGAAMAPK1SMN1; SMN2
Maltol SCHEMBL8619261 0.65 KDM4E (0.95) LMNAKDM4EGAAMAPK1SMN1; SMN2
Maltol SCHEMBL1685018 0.65 KDM4E (0.95) LMNAKDM4EGAAMAPK1SMN1; SMN2
Maltol SCHEMBL8105208 0.65 KDM4E (0.95) LMNAKDM4EGAAMAPK1SMN1; SMN2

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
US-20240016712-A1 Perfume Compositions GIVAUDAN SA (CH) 2024-01-18 US disclosed