SCHEMBL8719339

SCHEMBL8719339

CCCCCCCOc1cccc2c1CCc1cc(OCCCCC)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
PTPN11 Q06124 3/20 0.45
TSHR P16473 1/20 0.45
PDK2 Q15119 2/20 0.43
S1PR5 Q9H228 1/20 0.41
MAOB P27338 3/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
PTPN1 P18031 1/20 0.40
PLA2G4B P0C869 2/20 0.40
NR5A1 Q13285 1/20 0.39

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
SCHEMBL27509088 0.85 S1PR5 (0.47) PTPN11S1PR5HTR1AHTR1DHTR1B
SCHEMBL27509803 0.85 S1PR5 (0.47) PTPN11S1PR5HTR1AHTR1DHTR1B
SCHEMBL8904145 0.84 THRA (0.47) THRATHRBPTPN11TSHRPDK2
SCHEMBL8930855 0.84 THRA (0.47) THRATHRBPTPN11TSHRPDK2
SCHEMBL8930861 0.84 THRA (0.47) THRATHRBPTPN11TSHRPDK2
SCHEMBL8930862 0.84 THRA (0.47) THRATHRBPTPN11TSHRPDK2
SCHEMBL8903121 0.84 THRA (0.47) THRATHRBPTPN11TSHRPDK2
SCHEMBL8930857 0.84 THRA (0.47) THRATHRBPTPN11TSHRPDK2
SCHEMBL8719780 0.84 THRA (0.47) THRATHRBPTPN11TSHRPDK2
SCHEMBL8722767 0.84 THRA (0.47) THRATHRBPTPN11TSHRPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839173-A1 FERROELECTRIC LIQUID CRYSTAL MIXTURE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-05-06 EP disclosed
WO-1997004039-A1 FERROELECTRIC LIQUID CRYSTAL MIXTURE HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1997-02-06 WO disclosed