SCHEMBL31330

SCHEMBL31330

CC(C#N)Cc1ccc(C2CCC(C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
CTSC P53634 9/20 0.34
SPHK1 Q9NYA1 2/20 0.34
ACACB O00763 2/20 0.34
ACHE P22303 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL18721979 0.86 CTSC (0.45) CTSC
SCHEMBL8763089 0.77 ESR2 (0.42) ESR2
SCHEMBL10900107 0.77 ESR2 (0.52) ESR2GRIA1GRIA2GRIA3SPHK1
SCHEMBL15043502 0.77 ESR2 (0.52) ESR2SPHK1ACHETP53
SCHEMBL10900100 0.77 ESR2 (0.52) ESR2GRIA1GRIA2GRIA3SPHK1
SCHEMBL13615716 0.74 ESR2 (0.62) ESR2SPHK1
SCHEMBL24554063 0.74 ESR2 (0.45) ESR2CTSCSPHK1ACACBACHE
SCHEMBL11274428 0.74 ESR2 (0.45) ESR2SPHK1ACHETP53
SCHEMBL10900088 0.73 ESR2 (0.47) ESR2SPHK1
SCHEMBL10900086 0.73 ESR2 (0.47) ESR2SPHK1

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