SCHEMBL3109455

SCHEMBL3109455

C=CC(=O)Oc1c(OCC)cc(Sc2cc(OCC)c(OC(=O)C=C)c(Br)c2OCC)c(OCC)c1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 2/20 0.34
GAA P10253 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3097090 0.88 TSHR (0.41) TSHRHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL27766425 0.86 TSHR (0.38) TSHRHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL3113313 0.86 TSHR (0.39) TSHRHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL27666956 0.83 TSHR (0.39) TSHRHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL27666955 0.82 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1HTTNCOA1
SCHEMBL3108699 0.82 TSHR (0.38) TSHRHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL10440134 0.79 THRB (0.40) TSHRHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL11011685 0.78 THRB (0.45) TSHRHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL27709025 0.78 TSHR (0.39) TSHRHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL28110850 0.75 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1HTTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384895-C Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2008-04-30 CN claimed
US-7799844-B2 Active energy beam-curable composition for optical material TOAGOSEI CO., LTD. (JP) 2010-09-21 US disclosed
CN-100384895-C Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2008-04-30 CN disclosed
US-20070043143-A1 Active energy beam-curable composition for optical material THOMSON LICENSING (FR) 2007-02-22 US disclosed
CN-1875041-A Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2006-12-06 CN disclosed