SCHEMBL31335

SCHEMBL31335

Cc1cc(C2CCC(C)CC2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.46
ESR2 Q92731 1/20 0.46
HCRTR2 O43614 1/20 0.40
TSHR P16473 1/20 0.38
FASN P49327 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
AR P10275 5/20 0.34
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL15112858 0.93 USP30 (0.47) USP30ESR2HCRTR2TSHRFASN
SCHEMBL26391946 0.89 ESR2 (0.44) USP30ESR2HCRTR2TSHRFASN
SCHEMBL26391959 0.89 CYP11B1 (0.41) USP30ESR2HCRTR2TSHRFASN
SCHEMBL20156409 0.86 USP30 (0.48) USP30TSHRFASNMAOAMAOB
SCHEMBL18722119 0.84 USP30 (0.47) USP30TSHRFASNMAOAMAOB
SCHEMBL14274413 0.83 KDM1A (0.43) ESR2FASNCYP11B2CYP11B1
SCHEMBL15043563 0.83 ESR2 (0.51) USP30ESR2HCRTR2ARMEN1
SCHEMBL31343 0.83 KDM1A (0.43) ESR2FASNCYP11B2CYP11B1
SCHEMBL28779325 0.81 HTR2C (0.51) USP30
SCHEMBL1367052 0.81 USP30 (0.43) USP30HCRTR2TSHRFASNMAOA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3167025-B1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-07-18 EP disclosed
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