SCHEMBL9408649

SCHEMBL9408649

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
DNM1 Q05193 8/20 0.48
BBOX1 O75936 3/20 0.43
KMT2A Q03164 1/20 0.42
HSP90AA1 P07900 1/20 0.41
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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 SCHEMBL10383871 0.96 HTT (0.52) HTTDNM1BBOX1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL10384120 0.96 HTT (0.52) HTTDNM1BBOX1KMT2AHSP90AA1
Bromide SCHEMBL28464145 0.91 DNM1 (0.55) HTTDNM1BBOX1KMT2AHSP90AA1
Bromide SCHEMBL28458359 0.91 DNM1 (0.55) HTTDNM1BBOX1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL6717011 0.91 HTT (0.54) HTTDNM1BBOX1KMT2AHSP90AA1
Bromide SCHEMBL28458666 0.91 DNM1 (0.55) HTTDNM1BBOX1KMT2AHSP90AA1
SCHEMBL29270413 0.86 TSHR (0.44) HTTDNM1BBOX1KMT2AALDH1A1
Bromide SCHEMBL30402214 0.82 DNM1 (0.52) HTTDNM1BBOX1HSP90AA1RAD52
Hydrogen Sulfide SCHEMBL23406476 0.80 TRPA1 (0.52) KMT2AHSP90AA1ALDH1A1TSHR
Hydrogen Sulfide SCHEMBL23406532 0.80 TRPA1 (0.52) KMT2AHSP90AA1ALDH1A1TSHR

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-0595226-A2 Active substance-containing polymer gel HOYA CORPORATION (JP) 1994-05-04 EP disclosed