SCHEMBL13627229

SCHEMBL13627229

C[N+]1(CC(=O)CC(=O)O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.47
CTDSP1 Q9GZU7 3/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.43
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39
APOBEC3A P31941 4/20 0.38
APOBEC3G Q9HC16 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
TERT O14746 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL13627429 0.98 BBOX1 (0.48) BBOX1CTDSP1TSHRHTTLMNA
SCHEMBL5087967 0.82 BBOX1 (0.54) BBOX1CTDSP1TSHRHTTLMNA
Hydrochloric Acid SCHEMBL5085268 0.80 BBOX1 (0.52) BBOX1CTDSP1TSHRHTTLMNA
SCHEMBL12863261 0.80 LMNA (0.51) BBOX1CTDSP1TSHRHTTLMNA
SCHEMBL170289 0.80 BBOX1 (0.56) BBOX1CTDSP1TSHRHTTLMNA
Hydrochloric Acid SCHEMBL5088036 0.78 BBOX1 (0.54) BBOX1CTDSP1TSHRHTTLMNA
SCHEMBL12863236 0.78 LMNA (0.49) BBOX1CTDSP1TSHRHTTLMNA
SCHEMBL14876678 0.72 HTT (0.58) BBOX1CTDSP1TSHRHTTLMNA
SCHEMBL18052251 0.72 CTDSP1 (0.43) BBOX1CTDSP1TSHRHTTLMNA
Hydrochloric Acid SCHEMBL9055923 0.71 CTDSP1 (0.55) BBOX1CTDSP1TSHRHTTLMNA

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-3061757-A1 REACTIVE IONIC LIQUIDS BASF SE (DE) 2016-08-31 EP disclosed
WO-2009132740-A2 REACTIVE IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-11-05 WO disclosed