SCHEMBL7091904

SCHEMBL7091904

CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc([N+](=O)[O-])cc3C(F)(F)F)cc12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.66
THRB P10828 13/20 0.66
KIF11 P52732 3/20 0.41
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
LTA4H P09960 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL7091134 0.90 THRA (0.56) THRATHRBKIF11HTR2AHTR2C
SCHEMBL7085460 0.86 THRA (0.48) THRATHRBKIF11HTR2ALTA4H
SCHEMBL7084815 0.85 THRA (0.50) THRATHRBKIF11HTR2AHTR2C
SCHEMBL6511402 0.84 THRA (0.57) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7090515 0.84 THRA (0.56) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6515758 0.84 THRA (0.60) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7082352 0.83 THRA (0.69) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6516990 0.83 THRA (0.74) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7088959 0.81 LTA4H (0.48) THRATHRBHTR2ALTA4HPLA2G2A
SCHEMBL7087694 0.81 THRA (0.58) THRATHRBHTR2AHTR2CHTR2B

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