SCHEMBL28969019

SCHEMBL28969019

CCCCCCCCCCCCCCCNC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.47
▸ USP30 Q70CQ3 8/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP2C9 P11712 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BRD4 O60885 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
SCHEMBL25021947 1.00 EPHX1 (0.47) EPHX1USP30ALDH1A1EPHX2MAPT
SCHEMBL29042866 0.99 EPHX1 (0.48) EPHX1USP30ALDH1A1EPHX2MAPT
SCHEMBL29042867 0.99 EPHX1 (0.48) EPHX1USP30ALDH1A1EPHX2MAPT
SCHEMBL29042882 0.99 EPHX1 (0.48) EPHX1USP30ALDH1A1EPHX2MAPT
SCHEMBL24033437 0.95 EPHX1 (0.49) EPHX1USP30ALDH1A1MAPTNPC1
SCHEMBL28779683 0.91 USP30 (0.48) EPHX1USP30ALDH1A1MAPTKEAP1
SCHEMBL28779682 0.91 USP30 (0.48) EPHX1USP30ALDH1A1MAPTKEAP1
SCHEMBL13696753 0.91 EPHX1 (0.52) EPHX1USP30ALDH1A1MAPTNPC1
SCHEMBL25237250 0.91 EPHX1 (0.52) EPHX1USP30ALDH1A1MAPTNPC1
SCHEMBL18556969 0.91 EPHX1 (0.52) EPHX1USP30ALDH1A1MAPTNPC1

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-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
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