SCHEMBL7942301

SCHEMBL7942301

O=C(O)OOC(=O)Oc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.53
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
APP P05067 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
HNF4A P41235 1/20 0.40
ACACB O00763 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL5680600 0.83 TDP1 (0.45) PPARGMAPTKMT2A
SCHEMBL26667035 0.81 FFAR1 (0.54) FFAR1PPARGPPARAACACBMEN1
SCHEMBL301293 0.77 FFAR1 (0.52) FFAR1PPARGPPARAAPPHAO1
SCHEMBL4064336 0.77 ELANE (0.58) FFAR1PPARGPPARAHAO1ACACB
SCHEMBL2317883 0.77 TDP1 (0.50) PPARGMAPTRAB9AKMT2A
SCHEMBL7523552 0.77 ELANE (0.61) FFAR1PPARGPPARAAPPMAPT
SCHEMBL28259224 0.77 FFAR1 (0.58) FFAR1PPARGPPARAAPPHAO1
SCHEMBL18561127 0.75 PARP10 (0.61) FFAR1PPARGPPARAMAPTMEN1
SCHEMBL18561129 0.75 PARP10 (0.61) FFAR1PPARGPPARAMAPTMEN1
SCHEMBL14408207 0.74 FFAR1 (0.51) FFAR1ACACBNPC1RAB9A

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
WO-2001060140-A2 WHITE, SEALABLE, UV-STABILIZED BIAXIALLY ORIENTED POLYESTER FILM WHICH IS RENDERED FLAME RESISTANT, METHOD FOR THE PRODUCTION THEREOF AND ITS USE MITSUBISHI POLYESTER FILM GMBH (DE) 2001-08-23 WO disclosed