SCHEMBL5200397

SCHEMBL5200397

CCCCCCCCCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.67
ESR1 P03372 2/20 0.63
ADRA2A P08913 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
TACR2 P21452 2/20 0.63
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
HTR2A P28223 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
SHBG P04278 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
HSPD1 P10809 1/20 0.63
ADRB3 P13945 1/20 0.63
HTR2C P28335 1/20 0.63
HSPE1 P61604 1/20 0.63
HIF1A Q16665 1/20 0.63

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
SCHEMBL7184667 0.98 KCNH2 (0.69) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL210629 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2
Decane SCHEMBL8740719 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL8678547 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL4465463 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL175633 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL57721 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL8678238 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL7204684 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL133045 0.95 KCNH2 (0.71) KCNH2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990943-B1 An improved liquid crystal display device CT FOR LIQUID CRYSTAL RES (IN) 2007-08-22 EP claimed