SCHEMBL11706247

SCHEMBL11706247

CC[N+](CCCO)(CCCO)CCCO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41
KCNA1 Q09470 1/20 0.41
SLC22A1 O15245 3/20 0.40
SLC22A2 O15244 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PMP22 Q01453 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL272419 0.94 DNM1 (0.52) DNM1ALDH1A1TSHRNFKB1KCNA1
Water SCHEMBL319990 0.91 DNM1 (0.50) DNM1ALDH1A1TSHRNFKB1KCNA1
Hydrochloric Acid SCHEMBL14734829 0.91 DNM1 (0.50) DNM1ALDH1A1TSHRNFKB1KCNA1
Water SCHEMBL3308247 0.91 DNM1 (0.43) DNM1ALDH1A1TSHRNFKB1KCNA1
Iodide SCHEMBL14777716 0.91 DNM1 (0.50) DNM1ALDH1A1TSHRNFKB1KCNA1
Bromide SCHEMBL7214859 0.91 DNM1 (0.55) DNM1ALDH1A1TSHRNFKB1KCNA1
SCHEMBL28461185 0.91 DNM1 (0.50) DNM1ALDH1A1TSHRSLC22A1SLC22A2
Water SCHEMBL3305378 0.88 DNM1 (0.48) DNM1ALDH1A1TSHRSLC22A1SLC22A2
Hydrochloric Acid SCHEMBL27408052 0.88 DNM1 (0.48) DNM1ALDH1A1TSHRNFKB1KCNA1
SCHEMBL5793414 0.85 DNM1 (0.36) DNM1ALDH1A1TSHRNFKB1KCNA1

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
US-4059553-A OR HYDROXIDES OF MG, CA, CHROMIUM, MANGANESE, AND ZN AND QUATERNARY AMMONIUM SILICATES USEFUL FOR BUILDING MATERIALS KIKUSUI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1977-11-22 US claimed