SCHEMBL11069012

SCHEMBL11069012

CCC(C)OC(=O)C(CCCCCCC1CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.40
FAAH O00519 1/20 0.35
KDM5A P29375 1/20 0.33
KDM7A Q6ZMT4 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
NAAA Q02083 2/20 0.31
EPHX2 P34913 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
FFAR1 O14842 1/20 0.30
PKM P14618 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
SCHEMBL11070070 0.94 TP53 (0.40) TP53MAPTFAAHKDM5AKDM4C
SCHEMBL11071877 0.93 TP53 (0.39) TP53MAPTKDM5AKDM4CPHF8
SCHEMBL11068957 0.93 TP53 (0.39) TP53MAPTKDM5AKDM4CPHF8
SCHEMBL11081734 0.93 TP53 (0.39) TP53MAPTKDM5AKDM4CPHF8
SCHEMBL11079199 0.93 TP53 (0.38) TP53MAPTPTGESALOX5PPARG
SCHEMBL11081590 0.92 NAAA (0.39) TP53MAPTNAAA
SCHEMBL11072363 0.89 MAPT (0.40) TP53MAPTALOX5PPARGNAAA
SCHEMBL11074086 0.87 MAPT (0.40) MAPTPTGESALOX5PPARGNAAA
SCHEMBL11073505 0.87 MAPT (0.40) MAPTPTGESALOX5PPARGNAAA
SCHEMBL11074011 0.87 MAPT (0.40) MAPTPTGESALOX5PPARGNAAA

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-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed
WO-1982000822-A1 SUBSTITUTED OXIRANECARBOXYLIC ACIDS,THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EISTETTER K 1982-03-18 WO disclosed