SCHEMBL29705674

SCHEMBL29705674

NC(=O)C1(c2cncc(Br)c2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
CYP11B2 P19099 6/20 0.39
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CYP11B1 P15538 2/20 0.34
MAP4K4 O95819 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
SCHEMBL23164255 1.00 ALOX5 (0.39) ALOX5CYP11B2POLBHCAR2KDM4E
SCHEMBL16196153 0.89 CYP11B2 (0.45) CYP11B2POLBHCAR2KDM4EALDH1A1
SCHEMBL23163988 0.82 ITGA4 (0.39) POLBHCAR2KDM4EALDH1A1HPGD
SCHEMBL332753 0.78 ALOX5 (0.50) ALOX5HCAR2HRH3ALDH1A1HDAC3
SCHEMBL31115373 0.77 POLB (0.37) CYP11B2POLBHCAR2KDM4EALDH1A1
SCHEMBL15349227 0.76 HDAC1 (0.53) ALOX5HRH3ALDH1A1HDAC3HDAC1
SCHEMBL16195680 0.76 CYP11B2 (0.42) ALOX5CYP11B2POLBHCAR2KDM4E
SCHEMBL13048695 0.74 POLB (0.47) POLBHCAR2KDM4EALDH1A1HPGD
SCHEMBL17686064 0.73 CYP11B1 (0.38) CYP11B2POLBHCAR2KDM4EALDH1A1
SCHEMBL23972281 0.73 POLB (0.34) CYP11B2POLBHCAR2KDM4E

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-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed