SCHEMBL7088959

SCHEMBL7088959

CCCc1c[nH]c2ccc(Oc3c(C(F)(F)F)cc([N+](=O)[O-])cc3C(F)(F)F)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
PLA2G2A P14555 1/20 0.48
THRA P10827 7/20 0.47
THRB P10828 7/20 0.47
HTR2A P28223 2/20 0.47
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 5/20 0.45
HTR1B P28222 5/20 0.45
HTR1D P28221 4/20 0.45
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.41

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
SCHEMBL7086847 0.94 LTA4H (0.46) LTA4HPLA2G2ATHRATHRBHTR2A
SCHEMBL7084248 0.93 LTA4H (0.46) LTA4HPLA2G2ATHRATHRBHTR2A
SCHEMBL7087739 0.92 HTR1A (0.46) LTA4HPLA2G2ATHRATHRBHTR2A
SCHEMBL7084815 0.87 THRA (0.50) LTA4HPLA2G2ATHRATHRBHTR2A
SCHEMBL7089493 0.85 LTA4H (0.51) LTA4HPLA2G2ATHRATHRBHTR2A
SCHEMBL7089355 0.84 THRA (0.50) LTA4HPLA2G2ATHRATHRBHTR2A
SCHEMBL7084434 0.84 LTA4H (0.50) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7089347 0.84 THRA (0.51) LTA4HPLA2G2ATHRATHRBHTR2A
SCHEMBL7085460 0.84 THRA (0.48) LTA4HPLA2G2ATHRATHRBHTR2A
SCHEMBL7085754 0.84 THRA (0.48) THRATHRBHTR2AMEN1KMT2A

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
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed