SCHEMBL28339378

SCHEMBL28339378

CCC(=O)Oc1ccc(Br)cc1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.50
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL27714376 0.87 ALOX15 (0.47) ALOX15KDM4EALDH1A1TDP1KMT2A
SCHEMBL11841548 0.83 ALOX15 (0.63) ALOX15KDM4EKMT2ALMNAGAA
SCHEMBL28339383 0.83 ALOX15 (0.44) ALOX15KDM4EALDH1A1TDP1KMT2A
SCHEMBL15550185 0.80 ALOX15 (0.58) ALOX15KDM4EKMT2ALMNAGAA
SCHEMBL4206934 0.78 PTGDR2 (0.50) KDM4EALDH1A1TDP1KMT2ALMNA
SCHEMBL4201869 0.78 PTGDR2 (0.68) ALDH1A1TDP1KMT2ALMNAMAPK1
SCHEMBL28341850 0.78 ALOX15 (0.47) ALOX15KDM4EALDH1A1TDP1KMT2A
SCHEMBL5929563 0.78 ACHE (0.50) ALOX15KDM4EALDH1A1TDP1KMT2A
SCHEMBL1790082 0.78 ALOX15 (0.47) ALOX15KDM4EALDH1A1KMT2AHPGD
SCHEMBL3484667 0.77 LMNA (0.54) ALOX15KDM4EALDH1A1TDP1KMT2A

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