SCHEMBL9218172

SCHEMBL9218172

O=[C]c1cc(Br)c(OCCCCCCc2ccccc2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
PLA2G4B P0C869 1/20 0.42
NAAA Q02083 1/20 0.42
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
KCNA3 P22001 1/20 0.40
KCNA5 P22460 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7163248 1.00 FFAR1 (0.43) FFAR1THRATHRBPLA2G4BNAAA
SCHEMBL7164250 0.99 FFAR1 (0.44) FFAR1THRATHRBPLA2G4BNAAA
SCHEMBL7161992 0.94 THRA (0.43) FFAR1THRATHRBLMNAL3MBTL1
SCHEMBL7168100 0.90 THRA (0.44) FFAR1THRATHRB
SCHEMBL7165516 0.80 THRA (0.57) THRATHRBLMNA
SCHEMBL7163250 0.80 ALDH1A1 (0.47) FFAR1THRATHRBPLA2G4BS1PR1
SCHEMBL9218176 0.80 ALDH1A1 (0.47) FFAR1THRATHRBPLA2G4BS1PR1
SCHEMBL8408121 0.79 THRA (0.49) FFAR1THRATHRB
SCHEMBL7164257 0.78 ALDH1A1 (0.48) FFAR1THRATHRBS1PR1KDM4E
SCHEMBL9098246 0.77 FFAR1 (0.60) FFAR1PLA2G4BNAAAS1PR1S1PR3

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
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed