SCHEMBL6330756

SCHEMBL6330756

C=CC(=O)Oc1c(Br)c(OCC)c(Cc2c(OCC)c(Br)c(OC(=O)C=C)c(Br)c2OCC)c(OCC)c1Br

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.36
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
THRA P10827 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL10440134 0.90 THRB (0.40) THRBHPGDTSHRTHRA
SCHEMBL10626911 0.81 THRB (0.38) THRBHPGDTSHRTHRACA2
SCHEMBL11011685 0.80 THRB (0.45) THRBTSHRTHRA
SCHEMBL29854216 0.79 THRB (0.37) THRBHPGDTSHRTHRA
SCHEMBL10409153 0.77 THRB (0.32) THRB
SCHEMBL27666956 0.75 TSHR (0.39) THRBTSHR
SCHEMBL27766426 0.74 THRB (0.33) THRB
SCHEMBL25292460 0.74 THRB (0.40) THRBTSHR
SCHEMBL3109455 0.74 TSHR (0.38) THRBTSHR
SCHEMBL10607882 0.73 THRB (0.40) THRBHPGDTSHRTHRA

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
US-20050185232-A1 Volume hologram recording photosensitive composition and its use NIPPON PAINT CO., LTD. (JP) 2005-08-25 US disclosed