SCHEMBL29705644

SCHEMBL29705644

N#CC1(c2ccc(OCCC3CCCCC3)nc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.39
IDO1 P14902 3/20 0.38
MCHR1 Q99705 1/20 0.37
HPGD P15428 3/20 0.35
HSD11B1 P28845 2/20 0.35
MAP4K4 O95819 1/20 0.34
HSD11B2 P80365 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GCK P35557 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL23163619 0.91 NFE2L2 (0.36) NFE2L2IDO1MCHR1HPGDHSD11B1
SCHEMBL29705652 0.87 HSD11B1 (0.43) HSD11B1MAP4K4HSD11B2CTSLCTSS
SCHEMBL23163760 0.78 HSD11B1 (0.40) HSD11B1HSD11B2
SCHEMBL2192991 0.78 HSD11B1 (0.54) NFE2L2IDO1MCHR1HPGDHSD11B1
SCHEMBL29705655 0.76 LMNA (0.42) NFE2L2IDO1MCHR1HPGDGCK
SCHEMBL2195636 0.70 HPGD (0.47) NFE2L2IDO1MCHR1HPGD
SCHEMBL23164049 0.70 HRH3 (0.40) NFE2L2IDO1MCHR1HPGDCXCR1
SCHEMBL23163700 0.70 NFE2L2 (0.39) NFE2L2IDO1MCHR1HPGDHSD11B1
SCHEMBL15821832 0.69 MAP4K4 (0.47) MAP4K4SLC6A4SLC6A3
SCHEMBL10351821 0.69 NR1H4 (0.38) HPGD

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