SCHEMBL31190022

SCHEMBL31190022

COc1c(F)cc(Br)cc1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
USP30 Q70CQ3 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
MAPT P10636 1/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
TUBB1 Q9H4B7 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ACLY P53396 1/20 0.33
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
DGAT1 O75907 1/20 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
SCHEMBL18512319 0.84 HSD17B10 (0.49) HSD17B10NOTUMKDM4EPKMTUBB1
SCHEMBL31500456 0.84 HSD17B10 (0.49) HSD17B10NOTUMKDM4EPKMTUBB1
SCHEMBL643173 0.77 AAK1 (0.39) USP30MTNR1AMTNR1BMAPTNOTUM
SCHEMBL643318 0.76 DGAT1 (0.54) USP30MAPTAAK1DGAT1
SCHEMBL30362190 0.76 USP30 (0.43) USP30MAPTKDM4EAAK1DGAT1
SCHEMBL1185728 0.76 USP30 (0.43) USP30MAPTKDM4EAAK1DGAT1
SCHEMBL34472958 0.76 TPMT (0.43) HSD17B10MTNR1AMTNR1BMAPTNOTUM
SCHEMBL21591073 0.76 MTNR1A (0.41) HSD17B10USP30MTNR1AMTNR1BMAPT
SCHEMBL10228045 0.76 TUBB1 (0.41) HSD17B10MTNR1AMTNR1BKDM4ETUBB1
SCHEMBL20570499 0.75 HSD17B10 (0.46) HSD17B10MTNR1AMTNR1BMAPTNFKB1

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-2024254534-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed