SCHEMBL8977217

SCHEMBL8977217

CCCCCN(C(=O)Cl)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
TP53 P04637 1/20 0.35
ALOX5 P09917 1/20 0.33
TRPV1 Q8NER1 4/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
NAAA Q02083 1/20 0.33
GBA1 P04062 1/20 0.32
DNM1 Q05193 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 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
SCHEMBL8602631 0.94 L3MBTL1 (0.44) ADH1CADH1AADH4L3MBTL1ALDH1A1
SCHEMBL7786917 0.86 SLC6A4 (0.36) ADH1CADH1AADH4L3MBTL1TSHR
SCHEMBL8977190 0.79 SLC6A4 (0.33) ADH1CADH1AADH4ALDH1A1
Hydrochloric Acid SCHEMBL27363306 0.79 ADH1C (0.44) ADH1CADH1AADH4L3MBTL1ALDH1A1
SCHEMBL8034863 0.78 ADH1A (0.46) ADH1CADH1AL3MBTL1TSHR
SCHEMBL8059771 0.77
SCHEMBL8903152 0.77 ADH1A (0.47) ADH1CADH1AL3MBTL1ALDH1A1TSHR
SCHEMBL8041770 0.77 ADH1A (0.47) ADH1CADH1AL3MBTL1ALDH1A1TSHR
SCHEMBL7992320 0.74 PIK3CD (0.47) ADH1CADH1A
SCHEMBL7994900 0.74 SLC6A4 (0.33) ADH1CADH1A

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