SCHEMBL8764650

SCHEMBL8764650

CC(O)=C(C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MGLL Q99685 1/20 0.36
GAA P10253 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 1/20 0.34
TSHR P16473 2/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL24790711 0.97 CES2 (0.36) CES2CES1MGLLGAAHDAC8
SCHEMBL13240978 0.81 CES2 (0.42) CES2CES1MGLLGAAHDAC8
SCHEMBL27640506 0.79 CES2 (0.43) CES2CES1MGLLGAAHDAC8
SCHEMBL7760147 0.77 CES2 (0.41) CES2CES1MGLLGAAHDAC8
SCHEMBL127438 0.75
SCHEMBL8770021 0.74 CES2 (0.39) CES2CES1MGLLGAAHDAC8
SCHEMBL4244197 0.74 NOS2 (0.43) CES2CES1MGLLGAAHDAC8
SCHEMBL479710 0.74 CES2 (0.46) CES2CES1GAAHDAC8HDAC6
SCHEMBL4656363 0.74 CES2 (0.46) CES2CES1GAAHDAC8HDAC6
SCHEMBL479450 0.74 CES2 (0.46) CES2CES1GAAHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773977-A1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS AlliedSignal Inc. (US) 1997-05-21 EP claimed
WO-1996002596-A1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS ALLIEDSIGNAL INC. (US) 1996-02-01 WO claimed
WO-1996006142-A1 POLYESTER BASED OPTICAL FIBER COATINGS ALLIEDSIGNAL INC. (US) 1996-02-29 WO disclosed