SCHEMBL30909

SCHEMBL30909

N#CC1CCC(c2ccc(C3CCCC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ESR1 P03372 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 2/20 0.37
HTT P42858 1/20 0.37
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
HAO1 Q9UJM8 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
SCHEMBL7733708 0.84 KDM4E (0.39) ESR2ESR1CYP3A4CYP2C9ALDH1A1
SCHEMBL7733705 0.84 KDM4E (0.39) ESR2ESR1CYP3A4CYP2C9ALDH1A1
SCHEMBL11623457 0.83 ESR2 (0.59) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL11615675 0.83 SLC18A3 (0.40) ESR2LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7305798 0.83 SLC18A3 (0.40) ESR2ESR1CYP3A4CYP2C9MAPT
SCHEMBL7298806 0.83 SLC18A3 (0.40) ESR2ESR1CYP3A4CYP2C9MAPT
SCHEMBL10343084 0.83 SLC18A3 (0.48) CYP2D6MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL1399533 0.83 SLC18A3 (0.48) CYP2D6MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL5147779 0.81 ESR2 (0.54) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL10343265 0.80 NPC1 (0.54) CYP2D6MAPTALDH1A1KMT2A

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 5 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
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
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