SCHEMBL25830859

SCHEMBL25830859

C[C@@H]1CCCC(CO)(CO)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.30

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
SCHEMBL6377748 0.83 CYP1A2 (0.83) CYP1A2KDM4EPKM
SCHEMBL6377752 0.83 CYP1A2 (0.83) CYP1A2KDM4EPKM
SCHEMBL25831033 0.83 CYP1A2 (0.56) CYP1A2KDM4EPKM
SCHEMBL25340803 0.79 CYP1A2 (0.57) CYP1A2KDM4E
SCHEMBL12496746 0.77 CYP1A2 (0.55) CYP1A2
SCHEMBL19066933 0.76 CYP1A2 (0.53) CYP1A2
SCHEMBL16907745 0.76 CYP1A2 (0.44) CYP1A2KDM4EPKM
SCHEMBL2870375 0.75 CYP1A2 (1.00) CYP1A2
SCHEMBL32690126 0.75 CYP1A2 (1.00) CYP1A2
SCHEMBL18648166 0.74 CYP1A2 (0.52) CYP1A2

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-2023131667-A1 COOLING COMPOUNDS AND COMPOSITIONS V. MANE FILS (FR) 2023-07-13 WO disclosed