SCHEMBL6037110

SCHEMBL6037110

CO[Si](CCC(=O)NCCN)(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.34
SLC6A5 Q9Y345 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP2 P42575 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
SCHEMBL27628884 0.89 TSHR (0.46) TSHRPOLBRECQLSLC6A5CASP2
SCHEMBL12190502 0.86 PAOX (0.50) TSHRPOLBLMNASLC6A5CASP2
SCHEMBL12786199 0.79 TSHR (0.45) TSHRPOLBALDH1A1RECQLLMNA
SCHEMBL553701 0.78 CTSD (0.48) TSHRPOLBALDH1A1RECQLLMNA
SCHEMBL12190494 0.78 SLC6A5 (0.52) TSHRRECQLLMNASLC6A5CYP3A4
SCHEMBL27514494 0.77 TSHR (0.44) TSHRPOLBRECQLSLC6A5CASP2
SCHEMBL10481580 0.77 CASP2 (0.65) ALDH1A1CASP2
SCHEMBL38654455 0.76 ALDH1A1 (0.42) TSHRALDH1A1LMNASLC6A5CYP3A4
SCHEMBL22174072 0.76 TSHR (0.52) TSHRPOLBRECQLLMNACASP2
SCHEMBL16938668 0.76 ALDH1A1 (0.36) TSHRALDH1A1LMNASLC6A5CYP3A4

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-1695076-A2 REACTIVE OXYGEN DETECTING AND/OR ABSORBING COMPOUND, METHOD FOR PREPARING SAID COMPOUND AND A DEVICE COMPRISING IT Universite Rennes 1 (FR) 2006-08-30 EP disclosed
WO-2005062038-A2 REACTIVE OXYGEN DETECTING AND/OR ABSORBING COMPOUND, METHOD FOR PREPARING SAID COMPOUND AND A DEVICE COMPRISING IT UNIVERSITE DE RENNES 1 (FR) 2005-07-07 WO disclosed