SCHEMBL14907494

SCHEMBL14907494

C=C(C)C(=O)OCCc1ccc(OC)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 6/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL22858892 0.91 KDM4E (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12269844 0.90 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14540375 0.90 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31085365 0.89 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10061912 0.89 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13231719 0.87 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31085351 0.87 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9947185 0.87 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29358846 0.87 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL93485 0.87 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020250732-A1 POLYCARBONATE RESIN 三菱瓦斯化学株式会社 2020-12-17 WO disclosed
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed