SCHEMBL20117849

SCHEMBL20117849

C#CCCC(=O)Oc1ccc(CN(CC)CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PYCR1 P32322 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRK1 P41145 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL15412162 0.81 KMT2A (0.43) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL15412367 0.79 KMT2A (0.44) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL20089608 0.78 KMT2A (0.43) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL20089606 0.75 KMT2A (0.68) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL10233491 0.74 PRSS1 (0.46) L3MBTL1ALDH1A1LMNAMAPTHTT
SCHEMBL13158898 0.71 BCL9 (0.68) ALDH1A1LMNAMAPTHTTKMT2A
Acetic Acid SCHEMBL23429845 0.68 HRH3 (0.56) HRH3L3MBTL1HDAC8HDAC6ALDH1A1
SCHEMBL3551022 0.68 KMT2A (0.64) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL6243481 0.67 L3MBTL1 (0.49) HRH3L3MBTL1HDAC8HDAC6ALDH1A1
SCHEMBL7768079 0.67 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1

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
EP-3315126-A1 CONJUGATE OF POLYETHYLENE GLYCOL AND ANESTHETIC, AND PREPARATION METHOD THEREOF Jenkem Technology Co. Ltd. (Tianjin) (CN) 2018-05-02 EP disclosed