SCHEMBL4890474

SCHEMBL4890474

CCOC(C)COCCCOC(=O)C=CC#N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 4/20 0.36
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL4888649 0.83 ATM (0.41) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4888147 0.82 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4888251 0.78 ATM (0.61) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4892566 0.78 ATM (0.52) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL11288182 0.76 TSHR (0.51) TDP1TSHR
SCHEMBL4892532 0.75 ATM (0.61) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4891948 0.75 TSHR (0.33) ATMTSHR
SCHEMBL24797 0.74 ATM (0.70) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3207425 0.74 ATM (0.46) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4893688 0.73 HCAR2 (0.37) ATMHCAR2TDP1TSHR

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
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed