SCHEMBL4893681

SCHEMBL4893681

CCCCCOC(C)COC(C)COC(=O)C=CC#N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
ATM Q13315 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
TSHR P16473 2/20 0.35
APP P05067 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NAAA Q02083 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL4884984 0.99 HCAR2 (0.42) HCAR2ATMZDHHC20ZDHHC2TSHR
SCHEMBL4893688 0.90 HCAR2 (0.37) HCAR2ATMZDHHC20ZDHHC2TSHR
SCHEMBL4891948 0.83 TSHR (0.33) ATMTSHR
SCHEMBL4890618 0.81 TSHR (0.36) TSHR
SCHEMBL4891419 0.80 TSHR (0.35) TSHR
SCHEMBL1452125 0.79 HCAR2 (0.62) HCAR2ATMZDHHC20ZDHHC2TSHR
SCHEMBL28421374 0.79 HCAR2 (0.67) HCAR2ATMTDP1MAPT
SCHEMBL27168435 0.79 HCAR2 (0.61) HCAR2ATMTSHRTDP1MAPT
SCHEMBL4885631 0.78 TSHR (0.33) TSHR
SCHEMBL15229292 0.78 HCAR2 (0.64) HCAR2ATMZDHHC20ZDHHC2TSHR

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