SCHEMBL30198

SCHEMBL30198

COC(=O)c1ccc(OCC2CCC(C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.59
PARP10 Q53GL7 4/20 0.59
PARP2 Q9UGN5 2/20 0.59
MAPT P10636 4/20 0.57
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
RAB9A P51151 3/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL927657 0.94 PARP15 (0.66) PARP15PARP10PARP2MAPTDRD2
SCHEMBL1963756 0.87 PARP15 (0.57) PARP15PARP10PARP2MAPTDRD2
SCHEMBL9577038 0.87 PARP15 (0.57) PARP15PARP10PARP2MAPTDRD2
SCHEMBL7311285 0.87 PARP10 (0.68) PARP15PARP10PARP2MAPTDRD2
SCHEMBL19008139 0.85 KMT2A (0.48) MAPTDRD2DRD4RAB9ACA1
SCHEMBL240271 0.84 TDP1 (0.64) PARP15PARP10PARP2MAPTDRD2
SCHEMBL3225620 0.84 MAPT (0.58) PARP15PARP10PARP2MAPTDRD2
SCHEMBL1964456 0.83 PARP15 (0.54) PARP15PARP10PARP2MAPTDRD2
SCHEMBL13135282 0.82 HPGD (0.57) PARP15PARP10PARP2HPGD
SCHEMBL631819 0.81 DRD2 (0.52) PARP15PARP10PARP2MAPTDRD2

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-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