SCHEMBL9463243

SCHEMBL9463243

CC(C)N(C=O)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 10/20 1.00
ADH1C P00326 7/20 1.00
ADH1B P00325 1/20 1.00
ADH4 P08319 1/20 0.44
FDPS P14324 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Hydrochloric Acid SCHEMBL8442691 0.98 ADH1A (0.96) ADH1AADH1CADH1BADH4FDPS
SCHEMBL9462559 0.98 ADH1A (0.95) ADH1AADH1CADH1BADH4FDPS
SCHEMBL27716098 0.78 ADH1A (0.63) ADH1AADH1CADH1BADH4ALDH1A1
SCHEMBL27736931 0.78 ADH1A (0.63) ADH1AADH1CADH1BADH4ALDH1A1
SCHEMBL21183508 0.78 ADH1A (0.63) ADH1AADH1CADH1BADH4ALDH1A1
SCHEMBL9462298 0.77 ADH1A (0.62) ADH1AADH1CADH1BADH4MEN1
SCHEMBL19974879 0.77 ADH1A (0.61) ADH1AADH1CADH1BADH4ALDH1A1
Lithium Ion SCHEMBL30062922 0.75 ADH1A (0.59) ADH1AADH1CADH1BADH4FDPS
SCHEMBL12868935 0.74 ADH1A (0.59) ADH1AADH1CADH1BADH4
SCHEMBL5123903 0.74 ADH1C (0.58) ADH1AADH1CADH1BADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102933081-A Sweet flavor modifier SENOMYX INC 2013-02-13 CN disclosed
US-5224987-A Aqueous carriers with colors and tertiary amide penetrants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-06 US disclosed