SCHEMBL30503

SCHEMBL30503

CC1CCC(c2ccc(/C(F)=C/Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.53
CYP2C9 P11712 2/20 0.35
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC1 Q13547 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL31158 0.85 ESR2 (0.55) ESR2CYP2C9HDAC8HDAC6ALDH1A1
SCHEMBL10000804 0.85 ESR2 (0.55) ESR2CYP2C9HDAC8HDAC6ALDH1A1
SCHEMBL10024807 0.77 ESR2 (0.58) ESR2CYP2C9HDAC8HDAC6ALDH1A1
SCHEMBL31104 0.77 ESR2 (0.58) ESR2CYP2C9HDAC8HDAC6ALDH1A1
SCHEMBL11196166 0.75 ESR2 (0.77) ESR2CYP2C9ESR1CYP3A4
SCHEMBL8725708 0.74 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8725713 0.74 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8725716 0.74 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8725709 0.74 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL30854 0.73 ESR2 (0.53) ESR2CYP2C9HDAC8HDAC6ALDH1A1

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
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
EP-2609172-B1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-07 EP 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