SCHEMBL8621185

SCHEMBL8621185

CN(C)CC(O)CCl.CN(C)CC(O)CCl.ClCCCCl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.33
DNM1 Q05193 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8733411 1.00 HIF1A (0.36) HIF1ACA1CA2CA9LMNA
SCHEMBL1658052 0.89
Hydrochloric Acid SCHEMBL6680657 0.87
SCHEMBL5489994 0.85 TSHR (0.52) HIF1ALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL11229937 0.84 CA1 (0.39) HIF1ACA1CA2CA9LMNA
Propane SCHEMBL8733413 0.82 CA1 (0.38) HIF1ACA1CA2CA9LMNA
SCHEMBL8764811 0.78 HIF1A (0.35) HIF1ALMNASMN1; SMN2ALDH1A1TSHR
Acetic Acid SCHEMBL28227832 0.78 CA1 (0.35) HIF1ACA1CA2CA9LMNA
SCHEMBL22283870 0.78 TSHR (0.50) CA1CA2CA9ALDH1A1TSHR
SCHEMBL9169483 0.76 CA1 (0.41) HIF1ACA1CA2CA9LMNA

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-5780616-A Cationic polymer THE PROCTER & GAMBLE COMPANY (US) 1998-07-14 US disclosed