SCHEMBL10657239

SCHEMBL10657239

CC(C)(C)OCCCCC(CCCCOC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
FOLH1 Q04609 6/20 0.41
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39

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
SCHEMBL10052910 0.76 GSR (0.48) MEN1KMT2AGRIK1GRIK2SLC1A2
SCHEMBL10052911 0.76 GSR (0.48) MEN1KMT2AGRIK1GRIK2SLC1A2
SCHEMBL2398354 0.74 ALDH1A1 (0.56) MEN1KMT2ATDP1
SCHEMBL10932413 0.74 MAPK1 (0.36) TDP1MAPK1
SCHEMBL13702970 0.73 LMNA (0.42) MEN1KMT2AMAPK1
SCHEMBL21577238 0.72 TRPV1 (0.38) MAPK1
SCHEMBL28511943 0.72 GRIK1 (0.56) MEN1KMT2ACHRM1AKR1A1CHRM3
SCHEMBL5515553 0.72 CHRM1 (0.61) MEN1GAAKMT2ACHRM1AKR1A1
SCHEMBL24627511 0.71 LMNA (0.40) MEN1KMT2AMAPK1
SCHEMBL13702974 0.71 LMNA (0.40) MEN1KMT2AMAPK1

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-4725620-A 2H-pyran-2,6-(3H)-dione derivatives with anti-allergic activity ALLERGAN, INC. (US) 1988-02-16 US disclosed