SCHEMBL15043563

SCHEMBL15043563

CC1CCC(c2ccc(C#N)c(O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.51
QDPR P09417 4/20 0.41
USP30 Q70CQ3 1/20 0.37
ACMSD Q8TDX5 2/20 0.34
AR P10275 3/20 0.34
KDM1A O60341 1/20 0.33
HCRTR2 O43614 1/20 0.33
CSF1R P07333 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14660515 0.92 QDPR (0.46) ESR2QDPRUSP30ACMSDAR
SCHEMBL31335 0.83 USP30 (0.46) ESR2USP30ARHCRTR2MEN1
SCHEMBL14601387 0.81 CYP2C9 (0.48) ESR2QDPRUSP30ARMEN1
SCHEMBL31343 0.81 KDM1A (0.43) ESR2KDM1A
SCHEMBL14274413 0.81 KDM1A (0.43) ESR2KDM1A
SCHEMBL1850160 0.78 QDPR (0.46) ESR2QDPRACMSDARKDM1A
SCHEMBL14228793 0.77 KDM1A (0.41) ESR2KDM1A
SCHEMBL15112858 0.75 USP30 (0.47) ESR2USP30ARHCRTR2
SCHEMBL26391946 0.74 ESR2 (0.44) ESR2USP30ARHCRTR2
SCHEMBL8972921 0.74 KDM1A (0.40) ESR2KDM1A

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 3 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