SCHEMBL27645819

SCHEMBL27645819

C=C(C)C(=O)Oc1c(OCC)cc(Sc2cc(OCC)c(OC(=O)C(=C)C)c(CN)c2OCC)c(OCC)c1CN

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
AOC3 Q16853 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CREBBP Q92793 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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 0.86 TSHR (0.41) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL3100878 0.84 TSHR (0.39) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL27666955 0.83 TSHR (0.40) TSHRLMNAHTTAOC3GAA
SCHEMBL3108699 0.82 TSHR (0.38) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL27788052 0.80 TSHR (0.39) TSHRLMNAHTTAOC3GAA
SCHEMBL27689253 0.76 TSHR (0.39) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL3108607 0.72 HSD17B10 (0.35) TSHRHTTGAASMN1; SMN2CYP3A4
SCHEMBL4758984 0.71 TSHR (0.42) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL27645828 0.71 TSHR (0.42) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL27895655 0.70 TSHR (0.41) TSHRLMNAHTTGAASMN1; SMN2

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