SCHEMBL4780858

SCHEMBL4780858

CCOCCCCCCCCC=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 1/20 0.34
LPAR2 Q9HBW0 3/20 0.33
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33

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
SCHEMBL21436162 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL28016022 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL19287165 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL8204966 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL2160625 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL4912351 0.98
SCHEMBL9007954 0.96 TSHR (0.50) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL5255821 0.93
SCHEMBL29128731 0.90
SCHEMBL16568619 0.85 TSHR (0.50) TSHRFAAHTRPV1HIF1AMAPT

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-2008004130-A2 PEPTIDES FOR TARGETING THE MITOCHONDRIAL TRANSITION PORE COMPLEX FOR THERAPEUTIC APOPTOSIS INDUCTION AND BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2008-01-10 WO claimed