SCHEMBL18044444

SCHEMBL18044444

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 11/20 0.57
DNM1 Q05193 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39
ACHE P22303 1/20 0.34
TBXAS1 P24557 1/20 0.33

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
SCHEMBL3210702 0.82 BBOX1 (0.66) BBOX1DNM1HTTKMT2AHSP90AA1
Bromide SCHEMBL10619218 0.82 DNM1 (0.53) BBOX1DNM1HTTKMT2AHSP90AA1
Bromide SCHEMBL8561268 0.82 DNM1 (0.53) BBOX1DNM1HTTKMT2AHSP90AA1
Bromide SCHEMBL8565577 0.82 DNM1 (0.53) BBOX1DNM1HTTKMT2AHSP90AA1
Hydrochloric Acid SCHEMBL8572776 0.80 DNM1 (0.37) BBOX1DNM1ACHETBXAS1
SCHEMBL17157531 0.80 BBOX1 (0.34) BBOX1ACHETBXAS1
Hydrochloric Acid SCHEMBL2936558 0.79 ACHE (0.52) BBOX1KMT2AACHETBXAS1
Hydrochloric Acid SCHEMBL324011 0.79 ACHE (0.52) BBOX1KMT2AACHETBXAS1
SCHEMBL12018576 0.79 BBOX1 (0.65) BBOX1DNM1HTTKMT2A
SCHEMBL9812867 0.78 BBOX1 (0.37) BBOX1TBXAS1

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-3067381-A1 Coated silicon surfaces, their manufacture and application BASF SE (DE) 2016-09-14 EP disclosed