SCHEMBL29055986

SCHEMBL29055986

CCCCCC(C)C(=O)C1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL13827672 0.83 POLB (0.53) POLBHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL12158537 0.82 HSD17B10 (0.52) POLBHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL15113629 0.82 HSD17B10 (0.52) POLBHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL28358827 0.81 CCR2 (0.46) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7825419 0.81 HSD17B10 (0.44) POLBHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL28391915 0.81 PARP1 (0.39) POLBHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL2760258 0.78 FKBP1A (0.55) HSD17B10
SCHEMBL5411479 0.77 HSD17B10 (0.57) POLBHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL5411482 0.77 HSD17B10 (0.57) POLBHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL13819936 0.77 HSD17B10 (0.57) POLBHSD17B10KMT2AMEN1SMN1; SMN2

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-116615417-A 1, 4-diheterocycle substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2023-08-18 — — CN disclosed
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