SCHEMBL8977205

SCHEMBL8977205

CCCN(C(=O)Cl)C1CCCC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ADH1A P07327 2/20 0.37
ADH1C P00326 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.34
PYGL P06737 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL8977278 0.86 L3MBTL1 (0.36) CA12CA9ADH1AADH1CTRPM8
SCHEMBL8034863 0.85 ADH1A (0.46) ADH1AADH1CTRPM8PYGLMEN1
SCHEMBL8903152 0.84 ADH1A (0.47) ADH1AADH1CPYGLMEN1KMT2A
SCHEMBL8041770 0.84 ADH1A (0.47) ADH1AADH1CPYGLMEN1KMT2A
Hydrochloric Acid SCHEMBL27447193 0.83 CA12 (0.36) CA12CA9ADH1AADH1CTRPM8
SCHEMBL8977190 0.82 SLC6A4 (0.33) CA12CA9ADH1AADH1CPYGL
SCHEMBL7786917 0.81 SLC6A4 (0.36) CA12CA9ADH1AADH1CTRPM8
SCHEMBL11505401 0.81 TSHR (0.43) CA12CA9ADH1AADH1CTRPM8
SCHEMBL7992320 0.74 PIK3CD (0.47) ADH1AADH1CPYGLSLC6A2SLC6A4
SCHEMBL7994900 0.74 SLC6A4 (0.33) ADH1AADH1CSLC6A2SLC6A4SLC6A3

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
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed