SCHEMBL3108699

SCHEMBL3108699

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.38
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL3100065 0.88 TSHR (0.41) TSHRHSD17B10NCOA1NCOA3LMNA
SCHEMBL3100878 0.86 TSHR (0.39) TSHRHSD17B10LMNAHTTMEN1
SCHEMBL28758489 0.83 TSHR (0.39) TSHRHSD17B10NCOA1NCOA3LMNA
SCHEMBL27645819 0.82 TSHR (0.40) TSHRHSD17B10NCOA1NCOA3LMNA
SCHEMBL3109455 0.82 TSHR (0.38) TSHRHSD17B10NCOA1NCOA3LMNA
SCHEMBL10608315 0.79 THRB (0.42) TSHRHSD17B10KMT2AALDH1A1CYP3A4
SCHEMBL27766425 0.79 TSHR (0.38) TSHRHSD17B10NCOA1NCOA3LMNA
SCHEMBL27689253 0.78 TSHR (0.39) TSHRHSD17B10NCOA1NCOA3LMNA
SCHEMBL4758984 0.76 TSHR (0.42) TSHRNCOA1NCOA3LMNAHTT
SCHEMBL3108607 0.74 HSD17B10 (0.35) TSHRHSD17B10HTTMEN1KMT2A

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 6 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
US-20080227885-A1 Active Energy Beam-Curable Composition for Optical Material TOAGOSEI CO., LTD. (JP) 2008-09-18 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