SCHEMBL234087

SCHEMBL234087

C=C(C)C(=O)OC[SiH2]OCC(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ELANE P08246 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL237432 0.87 MTNR1A (0.41) TSHRHPGDALDH1A1MAPTCYP1A2
SCHEMBL10526534 0.84 POLB (0.43) TSHRHPGDALDH1A1MAPTCYP1A2
SCHEMBL3180135 0.83 TSHR (0.53) TSHRHPGDALDH1A1MAPTCYP1A2
SCHEMBL238399 0.81 HPGD (0.38) TSHRHPGDALDH1A1MAPTCYP1A2
SCHEMBL9337764 0.81 HPGD (0.40) TSHRHPGDALDH1A1MAPTCYP1A2
SCHEMBL238596 0.78 THRB (0.44) TSHRALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL296808 0.77 TSHR (0.55) TSHRHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL235139 0.75 MTNR1A (0.49) TSHRHPGDCYP1A2CYP2D6ELANE
SCHEMBL1685754 0.74 TSHR (0.50) TSHRHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL9579874 0.73 TSHR (0.49) TSHRHPGDCYP1A2CYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745406-B2 Curable composition CEMEDINE CO., LTD. (JP) 2017-08-29 US disclosed
EP-2412756-B1 CURABLE COMPOSITION CEMEDINE CO LTD (JP) 2016-12-21 EP disclosed
EP-2412756-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-02-01 EP disclosed
US-20120004371-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-01-05 US disclosed