SCHEMBL8173306

SCHEMBL8173306

O=C(O)C(=CC(C1CCCCCCCCC1)(C1CCCCCCCCC1)C1CCCCCCCCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7618007 0.79 EPHX1 (0.34) KEAP1NFE2L2CES2CES1
SCHEMBL479255 0.79 EPHX1 (0.34) KEAP1NFE2L2CES2CES1
SCHEMBL7618010 0.79 EPHX1 (0.34) KEAP1NFE2L2CES2CES1
SCHEMBL10815498 0.79 EPHX1 (0.34) KEAP1NFE2L2CES2CES1
SCHEMBL7711598 0.75 TSHR (0.39) HTTNPC1GAASMN1; SMN2
SCHEMBL701590 0.65 EPHX1 (0.37) KEAP1NFE2L2
SCHEMBL3871375 0.65 EPHX1 (0.37) KEAP1NFE2L2
SCHEMBL15673252 0.65 GRIK1 (0.47) CES2CES1HTTNPC1GAA
SCHEMBL8395889 0.65 CES2 (0.36) KEAP1NFE2L2CES2CES1NPC1
SCHEMBL5339681 0.65 KEAP1 (0.39) KEAP1NFE2L2CES2CES1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030747-A CHEMICALLY AMPLIFIED RESIST CONSISTS OF A PHOTOACID GENERATOR, A CROSSLINKING AGENT ACTIVATED IN PRESENCE OF ACID AND A COPOLYMER OF ACRYLIC OR METHACRYLIC ESTER CONTAINING AN ACID, HYDROXY OR ESTER POLAR GROUP AND A COMPOUND NEC CORPORATION (JP) 2000-02-29 US disclosed