SCHEMBL25831015

SCHEMBL25831015

C[C@@H]1CCCC2(COC(c3cccs3)OC2)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 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
SCHEMBL25831012 0.72 KMT2A (0.37) MEN1KMT2ACYP2C19ALDH1A1HSD11B1
SCHEMBL2041571 0.67 KDM4E (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11280178 0.66 MAPT (0.35) MEN1KMT2ALMNAPKMSMN1; SMN2
SCHEMBL11279009 0.66 MAPK1 (0.39) LMNAPKMSMN1; SMN2ALDH1A1HSD11B1
SCHEMBL25830965 0.65 CYP1A2 (0.32)
SCHEMBL25831009 0.65 CHRNB2 (0.36) ALDH1A1
SCHEMBL21442053 0.62 MEN1 (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7032930 0.62 KCNA4 (0.60) MEN1KMT2ALMNAPKMSMN1; SMN2
SCHEMBL25615299 0.62 CYP1A2 (0.42)
SCHEMBL4379122 0.62 ALDH1A1 (0.44) MEN1KMT2ACYP2C19LMNASMN1; 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
WO-2023131667-A1 COOLING COMPOUNDS AND COMPOSITIONS V. MANE FILS (FR) 2023-07-13 WO disclosed