SCHEMBL4872879

SCHEMBL4872879

C=CC(=O)OC(C)Oc1cc(Br)c(Br)c(Br)c1Br

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ERN1 O75460 1/20 0.32
AKR1B1 P15121 2/20 0.32
EIF2AK2 P19525 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL351498 0.85 TSHR (0.31) TSHR
SCHEMBL10794143 0.78 THRA (0.32) TSHR
SCHEMBL7529262 0.78 SMN1; SMN2 (0.45) TDP1TSHRMAPT
SCHEMBL10611030 0.78 TSHR (0.36) TSHR
SCHEMBL4340021 0.78 LMNA (0.40) TSHR
SCHEMBL10456026 0.77 TDP1 (0.56) TDP1ERN1AKR1B1MAPTNPSR1
SCHEMBL1447962 0.76 TDP1 (0.47) TDP1ERN1AKR1B1EIF2AK2CSNK2A2
SCHEMBL30053933 0.76 TDP1 (0.47) TDP1ERN1AKR1B1EIF2AK2CSNK2A2
SCHEMBL1508459 0.76 HSD17B10 (0.38) TSHRNPSR1
SCHEMBL14343253 0.72 THRB (0.36) TSHRMAPT

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-20080015280-A1 Photosensitive Composition for Forming Optical Waveguide and Optical Waveguide JSR CORPORATION (JP) 2008-01-17 US disclosed