SCHEMBL29569445

SCHEMBL29569445

O=C(C=Cc1ccccc1-c1ccccc1C=CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
BCHE P06276 3/20 0.62
MAOB P27338 3/20 0.62
LMNA P02545 2/20 0.62
PLIN1 O60240 1/20 0.62
TNFRSF1A P19438 1/20 0.62
ACHE P22303 1/20 0.62
RECQL P46063 1/20 0.62
PLIN5 Q00G26 1/20 0.62
CYP1B1 Q16678 1/20 0.62
ABHD5 Q8WTS1 1/20 0.62
RAB9A P51151 7/20 0.62
NPC1 O15118 5/20 0.62
TYR P14679 1/20 0.57
KMT2A Q03164 4/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
CYP3A4 P08684 2/20 0.55
HSPD1 P10809 1/20 0.55

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
SCHEMBL28812854 0.91 BCHE (0.60) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL30198653 0.91 MAPT (0.54) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL9240252 0.91 MAPT (0.57) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL9240254 0.91 MAPT (0.57) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL27969001 0.90 MAPT (0.60) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL9664021 0.90 MAPT (0.60) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL9006476 0.90 MAPT (0.69) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL17541840 0.87 MAPT (0.61) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL17541845 0.87 MAPT (0.61) MAPTBCHEMAOBLMNAPLIN1
SCHEMBL30414823 0.86 MAPT (0.53) MAPTBCHEMAOBLMNAPLIN1

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
CN-114907501-A Macrocyclic molecule promoted photoinitiation system, photopolymer material and preparation method 北京航空航天大学 2022-08-16 CN disclosed
EP-3956462-A1 OLIVETOL SYNTHASE VARIANTS AND METHODS FOR PRODUCTION OF OLIVETOLIC ACID AND ITS ANALOG COMPOUNDS Genomatica, Inc. (US) 2022-02-23 EP disclosed