SCHEMBL12011016

SCHEMBL12011016

CC1CCC(C2CCC(c3ccc(N=C=S)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.47
▸ P2RY6 Q15077 1/20 0.38
▸ MIF P14174 1/20 0.37
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30

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
SCHEMBL12011015 0.95 ESR2 (0.52) ESR2P2RY6MIFCA1CA2
SCHEMBL18553005 0.90 ESR2 (0.47) ESR2P2RY6MIFCA1CA2
SCHEMBL14206995 0.86 ESR2 (0.44) ESR2P2RY6MIFCA1CA2
SCHEMBL13463412 0.85 P2RY6 (0.39) ESR2P2RY6MIFCA1CA2
SCHEMBL10347925 0.83 P2RY6 (0.39) ESR2P2RY6MIFCA1CA2
SCHEMBL10348019 0.83 P2RY6 (0.39) ESR2P2RY6MIFCA1CA2
SCHEMBL12012337 0.82 ESR2 (0.40) ESR2P2RY6MIF
SCHEMBL10532002 0.81 MEN1 (0.49) ESR2P2RY6MIFNOS3NOS1
SCHEMBL10347974 0.81 MEN1 (0.49) ESR2P2RY6MIFNOS3NOS1
SCHEMBL10348559 0.81 MEN1 (0.49) ESR2P2RY6MIFNOS3NOS1

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
EP-3470496-A1 SPECTACLES WITH REMOTELY ACTIVATABLE DARKENING Lapanik, Valeri I. (BY) 2019-04-17 — — EP disclosed
US-8883037-B2 Chiral compounds, cholesteric and ferroelectric liquid crystal compositions comprising these chiral compounds, and liquid crystal displays comprising these liquid crystal compositions TETRAGON LC CHEMIE AG (LI) 2014-11-11 — — US disclosed
US-20130228720-A1 CHIRAL COMPOUNDS, CHOLESTERIC AND FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS COMPRISING THESE CHIRAL COMPOUNDS, AND LIQUID CRYSTAL DISPLAYS COMPRISING THESE LIQUID CRYSTAL COMPOSITIONS TETRAGON LC CHEMIE AG (LI) 2013-09-05 — — US disclosed
US-8252201-B1 Liquid crystalline medium Military University of Technology (PL) 2012-08-28 — — US disclosed
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