SCHEMBL23903201

SCHEMBL23903201

C=CC(=O)N(CCC[N+](C)(C)C)C(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
BBOX1 O75936 4/20 0.33
APEX1 P27695 3/20 0.33
NFKB1 P19838 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PMP22 Q01453 2/20 0.33
LMNA P02545 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL1644170 0.82 ACHE (0.38) ACHEMEN1KMT2ABBOX1APEX1
Hydrochloric Acid SCHEMBL7803046 0.81 ACHE (0.36) ACHEMEN1KMT2ABBOX1APEX1
Hydrochloric Acid SCHEMBL233972 0.81 ACHE (0.36) ACHEMEN1KMT2ABBOX1APEX1
Hydrochloric Acid SCHEMBL3409063 0.81 ACHE (0.36) ACHEMEN1KMT2ABBOX1APEX1
SCHEMBL13862588 0.78 ZDHHC20 (0.43) SMN1; SMN2LMNAZDHHC20ZDHHC2TSHR
SCHEMBL13862593 0.78 ZDHHC20 (0.43) SMN1; SMN2LMNAZDHHC20ZDHHC2TSHR
SCHEMBL10664833 0.77 ZDHHC20 (0.47) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL4685734 0.73 CHRM2 (0.35) ACHESMN1; SMN2ZDHHC20ZDHHC2TSHR
SCHEMBL372729 0.73 ZDHHC20 (0.57) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL25108824 0.73 ZDHHC20 (0.57) MEN1KMT2AZDHHC20ZDHHC2TSHR

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-3720412-B1 HAIR CARE COMPOSITION UNILEVER GLOBAL IP LTD (GB) 2021-10-13 EP claimed