SCHEMBL15637262

SCHEMBL15637262

CC(=O)CC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
DNM1 Q05193 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
HDAC3 O15379 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL10892321 0.84 HDAC3 (0.53) ALDH1A1DNM1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL11518695 0.82 MEN1 (0.47) ALDH1A1DNM1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL11664988 0.81 TDP1 (0.54) ALDH1A1DNM1MEN1KMT2AMAPK1
SCHEMBL15636706 0.80 ALDH1A1 (0.53) ALDH1A1DNM1MEN1KMT2AMAPK1
Fluoride Ion SCHEMBL2398102 0.80 ALDH1A1 (0.53) ALDH1A1DNM1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL7853055 0.80 MEN1 (0.49) ALDH1A1DNM1MEN1KMT2AMAPK1
SCHEMBL5963139 0.80 DNM1 (0.67) ALDH1A1DNM1MEN1KMT2AMAPK1
Acetic Acid SCHEMBL23069549 0.79 DNM1 (0.49) ALDH1A1DNM1MEN1KMT2AMAPK1
Acetic Acid SCHEMBL7106616 0.79 ALPL (0.52) ALDH1A1DNM1MEN1KMT2AMAPK1
Bromide SCHEMBL2355283 0.78 DNM1 (0.68) ALDH1A1DNM1MEN1KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840731-B2 Preservation of biological materials in non-aqueous fluid media GENTEGRA, LLC (US) 2017-12-12 US disclosed
US-20150267245-A1 PRESERVATION OF BIOLOGICAL MATERIALS IN NON-AQUEOUS FLUID MEDIA GENTEGRA, LLC (US) 2015-09-24 US disclosed
WO-2014055936-A1 PRESERVATION OF BIOLOGICAL MATERIALS IN NON-AQUEOUS FLUID MEDIA INTEGENX INC. (US) 2014-04-10 WO disclosed