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SCHEMBL4200387

SCHEMBL4200387

CCC[SiH2]OC(=S)[C@@H]1C[C@H](c2ccc(C(=O)OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)C(=O)CO3)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 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
SCHEMBL1035254 0.82 TSHR (0.38) TSHRTP53MAPTPOLBTHRB
SCHEMBL4532096 0.78 TSHR (0.38) TSHRTP53MAPTPOLBTHRB
SCHEMBL1036302 0.76 TSHR (0.37) TSHRTP53MAPTPOLBTHRB
SCHEMBL2924103 0.74 MAPT (0.40) TSHRTP53MAPTPOLBTHRB
SCHEMBL2916072 0.73 MAPT (0.37) TSHRTP53MAPTPOLBTHRB
SCHEMBL3070724 0.73 TSHR (0.42) TSHRTP53MAPTPOLBTHRB
SCHEMBL2918868 0.73 MAPT (0.40) TSHRTP53MAPTPOLBTHRB
SCHEMBL1040805 0.72 TSHR (0.37) TSHRTP53MAPTPOLBTHRB
SCHEMBL3069871 0.71 UTS2R (0.41) TSHRTP53MAPTPOLBTHRB
SCHEMBL2922845 0.71 ALDH1A1 (0.43) TSHRMAPTCYP2C9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 — — EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 — — WO disclosed