SCHEMBL7077532

SCHEMBL7077532

C=C(CCC(CO)Oc1c(Br)cc(Br)cc1Br)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7074081 0.83 HSD17B10 (0.40) HSD17B10THRATHRBMEN1KMT2A
SCHEMBL7079450 0.78 HSD17B10 (0.35) HSD17B10THRATHRB
SCHEMBL5586405 0.73 THRB (0.42) HSD17B10THRATHRBMEN1KMT2A
SCHEMBL7077534 0.72 HSD17B10 (0.38) HSD17B10THRATHRBMEN1KMT2A
SCHEMBL449703 0.72 THRA (0.44) HSD17B10THRATHRBMEN1KMT2A
SCHEMBL8897387 0.69 AKR1B1 (0.43) HSD17B10THRATHRBMEN1KMT2A
SCHEMBL18107530 0.69 TET2 (0.32)
SCHEMBL7067884 0.68 THRB (0.40) HSD17B10THRATHRBMEN1KMT2A
SCHEMBL5085698 0.67 GPR17 (0.41) HSD17B10
SCHEMBL28965934 0.67 HSD17B10 (0.41) HSD17B10THRATHRBMEN1KMT2A

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-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed