SCHEMBL30916

SCHEMBL30916

CCCC1CCC(CCc2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
CYP19A1 P11511 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL8200347 0.90 LOXL2 (0.48) HRH3CYP19A1LOXL2ALDH1A1L3MBTL1
SCHEMBL10899319 0.86 MAOB (0.51) MAOAMAOBHRH3ALDH1A1MAPT
SCHEMBL10899324 0.86 MAOB (0.51) MAOAMAOBHRH3ALDH1A1MAPT
SCHEMBL18722126 0.85 CYP19A1 (0.46) HRH3CYP19A1LOXL2L3MBTL1RAB9A
SCHEMBL11058080 0.82 MAOB (0.57) MAOAMAOBHRH3ALDH1A1MAPT
SCHEMBL11058086 0.82 MAOB (0.57) MAOAMAOBHRH3ALDH1A1MAPT
SCHEMBL4871724 0.82 SMN1; SMN2 (0.47) HRH3CYP19A1LOXL2ALDH1A1L3MBTL1
SCHEMBL9059515 0.81 MAOB (0.47) MAOAMAOBHRH3ALDH1A1MAPT
SCHEMBL10901753 0.81 MAOB (0.47) MAOAMAOBHRH3ALDH1A1MAPT
SCHEMBL10899249 0.81 MAOB (0.47) MAOAMAOBHRH3ALDH1A1MAPT

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 7 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
EP-2609172-B1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-07 EP 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