SCHEMBL27766907

SCHEMBL27766907

CCCCCCCCCCCCCc1ccc(O)c(CCCC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.59
PTGS2 P35354 3/20 0.56
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56
HSPE1 P61604 1/20 0.56
HIF1A Q16665 1/20 0.56

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
SCHEMBL1020412 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL28396429 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL8448605 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1020306 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL330338 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1020381 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1021561 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1022729 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL3643222 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL27767044 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3

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
CN-101616883-B Liquid crystalline compound, liquid crystal composition, and liquid crystal display element CHISSO CORP 2014-06-18 CN disclosed
CN-101616883-A Liquid crystalline compound, liquid crystal composition, and liquid crystal display element CHISSO CORP 2009-12-30 CN disclosed