SCHEMBL21154976

SCHEMBL21154976

CC(C)CC(N)C(=O)OCOc1c(C(C)C)cccc1C(C)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 3/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
GBA1 P04062 1/20 0.31
SOAT2 O75908 1/20 0.31
MYC P01106 1/20 0.31
SOAT1 P35610 1/20 0.31
MAP2K3 P46734 1/20 0.31

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
SCHEMBL17549495 1.00 LARS1 (0.33) LARS1SCN5ASCN9ASCN10AALOX15
Trifluoroacetic Acid SCHEMBL17537129 0.93 DPP4 (0.33) LARS1SCN9A
SCHEMBL17549493 0.86 SCN5A (0.34) SCN5ASCN9ASCN10AALOX15TSHR
SCHEMBL17549504 0.86 TYR (0.40) SOAT2SOAT1
SCHEMBL17549488 0.83 SCN5A (0.35) SCN5ASCN9ASCN10AALOX15TSHR
SCHEMBL17549500 0.83 DPP8 (0.35) SCN5ASCN9ASCN10A
SCHEMBL17549499 0.82 SCN5A (0.34) SCN5ASCN9ASCN10AALOX15TSHR
SCHEMBL17598371 0.82 HMGCR (0.35) LARS1SCN5ASCN9ASCN10A
Trifluoroacetic Acid SCHEMBL28110030 0.81 TYR (0.37) SOAT2SOAT1
Trifluoroacetic Acid SCHEMBL17537149 0.81 TYR (0.37) SOAT2SOAT1

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
EP-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed