SCHEMBL30849

SCHEMBL30849

COC1CCC(c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.48
PARP10 Q53GL7 5/20 0.48
FFAR1 O14842 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 2/20 0.43
PARP2 Q9UGN5 1/20 0.42
HPGD P15428 1/20 0.41
GRM2 Q14416 2/20 0.41
ACACB O00763 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ADAM17 P78536 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL11127699 0.86 PARP10 (0.57) PARP15PARP10FFAR1HRH3KCNH2
SCHEMBL18721888 0.82 HRH3 (0.57) PARP15PARP10FFAR1HRH3KCNH2
SCHEMBL15382237 0.81 S1PR1 (0.40) TDP1HRH3KCNH2
SCHEMBL21400162 0.78 DRD2 (0.39) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL20886695 0.77 HRH3 (0.44) PARP15PARP10FFAR1TDP1HRH3
SCHEMBL26543621 0.77 HRH3 (0.49) PARP15PARP10TDP1HRH3KCNH2
SCHEMBL12603888 0.76 DRD2 (0.51) MAOAMAOB
SCHEMBL13038146 0.76 DRD2 (0.51) MAOAMAOB
SCHEMBL20128502 0.75 ACACB (0.43) PARP15PARP10PARP2ACACB
SCHEMBL26559765 0.74 PARP15 (0.43) PARP15PARP10HRH3KCNH2PARP2

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
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
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