SCHEMBL9705597

SCHEMBL9705597

O=C(O)C=CN(CCO)CCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL3278091 0.78 HCAR2 (0.39) TSHRTP53EGLN1EGLN3GABRR1
SCHEMBL28831593 0.78 HCAR2 (0.39) TSHRTP53EGLN1EGLN3GABRR1
SCHEMBL3278419 0.75 HCAR2 (0.42) ALDH1A1
SCHEMBL3971339 0.74 MAPT (0.39)
Trolamine SCHEMBL6479985 0.74 TSHR (0.50) TSHRTP53EGLN1EGLN3NPC1
Trolamine SCHEMBL4944913 0.74 TSHR (0.50) TSHRTP53EGLN1EGLN3NPC1
Trolamine SCHEMBL5875419 0.74 TSHR (0.50) TSHRTP53EGLN1EGLN3NPC1
Trolamine SCHEMBL14989224 0.74 TSHR (0.50) TSHRTP53EGLN1EGLN3NPC1
Trolamine SCHEMBL4944905 0.74 TSHR (0.50) TSHRTP53EGLN1EGLN3NPC1
Trolamine SCHEMBL5874734 0.74 TSHR (0.50) TSHRTP53EGLN1EGLN3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226153-B1 IONIC POLYMERS BASF Aktiengesellschaft (DE) 1992-08-12 EP disclosed
EP-0226153-A2 Ionic polymers BASF Aktiengesellschaft (DE) 1987-06-24 EP disclosed