SCHEMBL28339385

SCHEMBL28339385

CCOc1cc(Br)ccc1OC(=O)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
GLA P06280 1/20 0.46
GAA P10253 1/20 0.45
CCR5 P51681 1/20 0.44
TSHR P16473 5/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 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
SCHEMBL28901969 0.81 PDE4B (0.51) HPGDMEN1KMT2ACCR5TSHR
SCHEMBL20774839 0.79 MEN1 (0.52) HPGDLMNAMEN1KMT2AMAPK1
SCHEMBL28339435 0.79 MEN1 (0.42) HPGDLMNAMEN1KMT2AMAPK1
SCHEMBL28487000 0.78 HPGD (0.50) HPGDLMNAMEN1KMT2AGLA
SCHEMBL31321705 0.78 HPGD (0.58) HPGDLMNAMEN1KMT2AGLA
SCHEMBL31321722 0.77 HPGD (0.60) HPGDLMNAKMT2AGLAALDH1A1
Acetic Acid SCHEMBL10998868 0.77 TSHR (0.53) HPGDLMNAKMT2AGLATSHR
SCHEMBL28339591 0.77 ALOX15 (0.51) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL27641736 0.76 KMT2A (0.43) HPGDMEN1KMT2AMAPK1KDM4E
SCHEMBL182753 0.76 TSHR (0.56) HPGDLMNAMEN1KMT2AMAPK1

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 2 patents. 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
CN-110612296-A Phenyl derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed