SCHEMBL6665433

SCHEMBL6665433

CCCCCCCCCCCCOc1ccc2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(OC(=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PTPN11 Q06124 1/20 0.39
PPARG P37231 4/20 0.39
MTNR1A P48039 1/20 0.38
KCNH2 Q12809 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PPARD Q03181 3/20 0.37
THRA P10827 1/20 0.37
FAAH O00519 4/20 0.37

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
SCHEMBL6665436 1.00 PPARA (0.42) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL6663876 0.82 CNR1 (0.40) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL6665450 0.80 KCNH2 (0.54) PPARAPTPN11KCNH2
SCHEMBL6665449 0.80 KCNH2 (0.54) PPARAPTPN11KCNH2
SCHEMBL26172963 0.73 KCNH2 (0.53) KCNH2CNR1CNR2
SCHEMBL6670318 0.70 KCNH2 (0.43) PPARAPTPN11KCNH2CNR2FAAH
SCHEMBL6670320 0.70 KCNH2 (0.43) PPARAPTPN11KCNH2CNR2FAAH
SCHEMBL13417485 0.69 LTA4H (0.64) PPARAKCNH2CNR1FAAH
SCHEMBL1984435 0.69 LTA4H (0.64) PPARAKCNH2CNR1FAAH
SCHEMBL11836150 0.69 LTA4H (0.64) PPARAKCNH2CNR1FAAH

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-1452338-A1 Patterned dichroic security features Eidgenössische Technische Hochschule (ETH) (CH) 2004-09-01 EP disclosed