SCHEMBL29326266

SCHEMBL29326266

COC(=O)c1ccc(C2CCN(C)CCN2C(=O)OC(C)(C)C)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.47
NR1H3 Q13133 7/20 0.47
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 2/20 0.37
NAMPT P43490 1/20 0.37
QDPR P09417 2/20 0.36
MYC P01106 1/20 0.36
RXRA P19793 3/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36

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
SCHEMBL28961486 0.89 NR1H2 (0.48) NR1H2NR1H3CA12CA1CA2
SCHEMBL31056864 0.86 NR1H2 (0.45) NR1H2NR1H3GAANAMPTKDM4E
SCHEMBL29326644 0.85 NR1H2 (0.44) NR1H2NR1H3GAANAMPTRXRA
SCHEMBL29328205 0.84 NR1H2 (0.44) NR1H2NR1H3GAANAMPTKDM4E
SCHEMBL29326263 0.81 NR1H2 (0.47) NR1H2NR1H3ALDH1A1
SCHEMBL29324155 0.79 NR1H2 (0.47) NR1H2NR1H3CA12CA1CA2
SCHEMBL4967606 0.78 RIPK1 (0.48) NR1H2NR1H3EEDRBBP4SUZ12
SCHEMBL5529036 0.78 RIPK1 (0.48) NR1H2NR1H3EEDRBBP4SUZ12
SCHEMBL4967238 0.78 RIPK1 (0.48) NR1H2NR1H3EEDRBBP4SUZ12
SCHEMBL30736753 0.77 NAMPT (0.52) NAMPTQDPREEDRBBP4SUZ12

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
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed