SCHEMBL29067298

SCHEMBL29067298

CC(NC(=O)OC(C)(C)C)c1ccc(N2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ACACB O00763 10/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CTSK P43235 2/20 0.42
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL21378529 0.99 PHGDH (0.46) PHGDHMAPTALDH1A1NPSR1ACACB
SCHEMBL21378527 0.99 PHGDH (0.46) PHGDHMAPTALDH1A1NPSR1ACACB
SCHEMBL21378568 0.90 HDAC3 (0.43) MAPTALDH1A1NPSR1ACACBKMT2A
SCHEMBL21378571 0.90 HDAC3 (0.43) MAPTALDH1A1NPSR1ACACBKMT2A
SCHEMBL21378587 0.90 LMNA (0.48) MAPTALDH1A1ACACBHIF1AKMT2A
SCHEMBL21378590 0.90 LMNA (0.48) MAPTALDH1A1ACACBHIF1AKMT2A
SCHEMBL17966968 0.90 LMNA (0.48) MAPTALDH1A1ACACBHIF1AKMT2A
SCHEMBL18551119 0.88 ACACB (0.42) MAPTALDH1A1ACACBKMT2AMEN1
SCHEMBL18611922 0.88 ACACB (0.42) ALDH1A1ACACBCTSKUSP2HSD17B10
SCHEMBL21388688 0.81 ACACB (0.47) MAPTACACB

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-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 — — CN disclosed
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