SCHEMBL28339591

SCHEMBL28339591

CCCC(=O)Oc1ccc(Br)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
TOP2A P11388 4/20 0.49
TSHR P16473 3/20 0.46
HPGD P15428 2/20 0.46
AKR1C3 P42330 1/20 0.45
HSD17B10 Q99714 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
LMNA P02545 3/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL31321628 0.83 ALOX15 (0.52) ALOX15TOP2ATSHRAKR1C3HSD17B10
SCHEMBL31321690 0.82 ALOX15 (0.62) ALOX15TOP2AHPGDAKR1C3KMT2A
SCHEMBL15557536 0.81 ALOX15 (0.57) ALOX15TOP2AAKR1C3CYSLTR2CYSLTR1
SCHEMBL28339382 0.81 KDM4E (0.49) ALOX15TOP2AHPGDAKR1C3HSD17B10
SCHEMBL27614322 0.80 KMT2A (0.52) ALOX15TSHRHPGDLMNAKMT2A
SCHEMBL15558179 0.80 ALOX15 (0.63) ALOX15TOP2AAKR1C3CYSLTR2CYSLTR1
SCHEMBL16672664 0.79 L3MBTL1 (0.56) ALOX15TOP2AAKR1C3LMNAKMT2A
Acetic Acid SCHEMBL10998868 0.79 TSHR (0.53) TSHRHPGDHSD17B10LMNAKMT2A
SCHEMBL15558909 0.79 ALOX15 (0.62) ALOX15TOP2AAKR1C3CYSLTR2CYSLTR1
Rubidium SCHEMBL38664118 0.79 ALOX15 (0.48) ALOX15TSHRHPGDCYSLTR2CYSLTR1

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