SCHEMBL5584091

SCHEMBL5584091

CCCCCc1ccccc1-c1cc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARA Q07869 1/20 0.38
TLR8 Q9NR97 3/20 0.37
IDO1 P14902 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GPR3 P46089 1/20 0.36
KCNH2 Q12809 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL5327993 0.81 TDP1 (0.40) LIPGALOX5PTGS2PPARA
SCHEMBL29505758 0.79 TAAR1 (0.41) IDO1IDO2
SCHEMBL16039155 0.77 AGTR2 (0.41)
SCHEMBL1024526 0.77 LIPG (0.59) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL3801556 0.77 LIPG (0.47) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL9619382 0.75 LIPG (0.62) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL1921650 0.75 LIPG (0.62) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL8157124 0.75 LIPG (0.62) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL196217 0.75 LIPG (0.62) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL11663988 0.75 LIPG (0.62) LIPGNR1H2NR1H3ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007517782-A 2007-07-05 JP claimed
EP-1694123-A1 TOPICAL FORMULATIONS COMPRISING A 1-N-ARYLPYRAZOLE DERIVATIVE AND A FORMAMIDINE Merial Ltd. (US) 2006-08-30 EP claimed
WO-2005058038-A1 TOPICAL FORMULATIONS COMPRISING A 1-N-ARYLPYRAZOLE DERIVATIVE AND A FORMAMIDINE MERIAL LIMITED (US) 2005-06-30 WO claimed