SCHEMBL29953524

SCHEMBL29953524

OB(O)c1cccc2c(F)cccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ENPP2 Q13822 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
LIPE Q05469 1/20 0.33
ERN1 O75460 1/20 0.33
ACHE P22303 1/20 0.32
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32

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
SCHEMBL17728135 1.00 MAPT (0.36) MAPTENPP2CES2CES1LIPE
SCHEMBL29950753 0.86 MAPT (0.41) MAPTENPP2LIPE
SCHEMBL3639412 0.86 MAPT (0.41) MAPTENPP2LIPE
SCHEMBL29595177 0.85 MAPT (0.44) MAPTENPP2LIPE
SCHEMBL2399704 0.85 MAPT (0.44) MAPTENPP2LIPE
SCHEMBL29618976 0.77 CES2 (0.43) CES2CES1ACHEDAODDO
SCHEMBL5015496 0.77 CES2 (0.43) CES2CES1ACHEDAODDO
SCHEMBL4384 0.76 CES2 (0.43) ENPP2CES2CES1ERN1ACHE
SCHEMBL29399046 0.76 CES2 (0.43) ENPP2CES2CES1ERN1ACHE
SCHEMBL115327 0.75 ENPP2 (0.46) MAPTENPP2CES2CES1LIPE

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed