SCHEMBL28758489

SCHEMBL28758489

C=C(C)C(=O)Oc1c(OCC)cc(S)c(OCC)c1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.34
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
SCHEMBL27645828 0.88 TSHR (0.42) TSHRNCOA1NCOA3LMNAHTT
SCHEMBL3108699 0.83 TSHR (0.38) TSHRNCOA1NCOA3HSD17B10LMNA
SCHEMBL27666956 0.82 TSHR (0.39) TSHRNCOA1NCOA3HSD17B10LMNA
SCHEMBL10608315 0.80 THRB (0.42) TSHRHSD17B10KMT2ACYP3A4THRB
SCHEMBL4758984 0.77 TSHR (0.42) TSHRNCOA1NCOA3LMNAHTT
SCHEMBL7075782 0.75 THRB (0.38) TSHRHSD17B10THRBALDH1A1KDM4E
SCHEMBL10626925 0.74 THRB (0.36) TSHRLMNAMEN1KMT2ATHRB
SCHEMBL27666953 0.73 CYP1A2 (0.36) TSHRHSD17B10LMNAHTTKMT2A
SCHEMBL10718201 0.73 THRB (0.39) TSHRNCOA1NCOA3HSD17B10LMNA
SCHEMBL27895655 0.73 TSHR (0.41) TSHRLMNAHTTMEN1KMT2A

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 3 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
CN-100384895-C Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2008-04-30 CN disclosed
CN-1875041-A Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2006-12-06 CN disclosed