SCHEMBL31347

SCHEMBL31347

Cc1cc(OCC2CCC(C)CC2)cc(C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM1A O60341 5/20 0.36
EGLN2 Q96KS0 1/20 0.36
MAOB P27338 1/20 0.36
AKT1 P31749 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRM2 Q14416 1/20 0.36
ADORA2A P29274 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
KAT6A Q92794 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL31276 0.83 PARP10 (0.38) HPGDSIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL24267466 0.81 SLC6A2 (0.44) HPGDSIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL30424 0.76 SIGMAR1 (0.63) HPGDSIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL15900572 0.75 KDM1A (0.44) SIGMAR1SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL20152481 0.74 ALDH1A1 (0.39) HPGD
SCHEMBL17548007 0.74 PARP10 (0.40) HPGDPDE4APDE4DKAT6APARP15
SCHEMBL13135282 0.74 HPGD (0.57) HPGDSIGMAR1PARP15PARP10
SCHEMBL16490706 0.72 PARP10 (0.41) HPGDKAT6APARP15PARP10
SCHEMBL20152466 0.72 ALDH1A1 (0.41) HPGD
SCHEMBL18135282 0.71 ESR2 (0.40) HPGD

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 4 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