SCHEMBL31354

SCHEMBL31354

CCCCCCCC1CCC(CCc2ccc(C#N)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM2 Q14416 1/20 0.38
CYP19A1 P11511 6/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PANK3 Q9H999 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL10825038 0.84 SPHK1 (0.42) KDM4EALDH1A1HPGDHTTTSHR
SCHEMBL10825039 0.84 SPHK1 (0.42) KDM4EALDH1A1HPGDHTTTSHR
SCHEMBL18721895 0.84 MAOA (0.36) KDM4EALDH1A1L3MBTL1MAOAMAOB
SCHEMBL10650570 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10650576 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10652638 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10652631 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10355470 0.82 HPGD (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10355471 0.82 HPGD (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL18882595 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed