SCHEMBL28339403

SCHEMBL28339403

CCOc1c(OC(=O)CC)ccc(Br)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
THRB P10828 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 7/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL2123778 0.80 TUBB1 (0.40) THRBLMNASMN1; SMN2GAAALDH1A1
SCHEMBL31096258 0.77 TUBB1 (0.44) LMNASMN1; SMN2GAAALDH1A1HSD17B10
SCHEMBL21823585 0.77 TUBB1 (0.44) LMNASMN1; SMN2GAAALDH1A1HSD17B10
SCHEMBL5965055 0.76 ACHE (0.40) ALOX15LMNASMN1; SMN2GAAALDH1A1
SCHEMBL28880867 0.75 ALOX15 (0.33) ALOX15LMNAGAAALDH1A1ESR1
SCHEMBL418275 0.74 ALOX15 (0.46) ALOX15LMNASMN1; SMN2GAAALDH1A1
SCHEMBL1993192 0.74 ALOX15 (0.46) ALOX15LMNASMN1; SMN2GAAALDH1A1
SCHEMBL17040889 0.73 TSHR (0.42) THRBLMNASMN1; SMN2GAAALDH1A1
SCHEMBL23887370 0.73 PKM (0.55) ALOX15LMNASMN1; SMN2GAAALDH1A1
SCHEMBL31316398 0.73 PKM (0.55) ALOX15LMNASMN1; SMN2GAAALDH1A1

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
CN-110621671-A Benzofuran and benzothiophene derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-27 CN disclosed