SCHEMBL10346839

SCHEMBL10346839

Cn1c(=O)n(CCCCC(C)(C)O)c(=O)c2c1ncn2CCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ PDE4A P27815 4/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ ACHE P22303 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ ADORA2B P29275 4/20 0.46
▸ PDE4B Q07343 3/20 0.45
▸ PDE4C Q08493 3/20 0.45
▸ PDE4D Q08499 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ TNF P01375 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL10346500 0.91 LMNA (0.65) LMNASMN1; SMN2POLBPDE4ACYP1A2
SCHEMBL10346307 0.88 LMNA (0.61) LMNASMN1; SMN2POLBPDE4ACYP1A2
SCHEMBL5427270 0.85 PDE4A (0.70) LMNASMN1; SMN2PDE4ACYP1A2NFKB1
SCHEMBL10346830 0.84 LMNA (0.63) LMNASMN1; SMN2POLBPDE4ACYP1A2
SCHEMBL7358934 0.84 PDE4A (0.69) LMNASMN1; SMN2PDE4ACYP1A2NFKB1
SCHEMBL7030926 0.84 PDE4A (0.62) LMNASMN1; SMN2PDE4ACYP1A2NFKB1
SCHEMBL10346304 0.84 LMNA (0.56) LMNASMN1; SMN2POLBPDE4ACYP1A2
SCHEMBL19601304 0.84 PDE4A (0.58) LMNASMN1; SMN2POLBPDE4ACYP1A2
SCHEMBL10763293 0.83 PDE4A (0.67) LMNASMN1; SMN2POLBPDE4ACYP1A2
SCHEMBL10346583 0.83 PDE4A (0.64) LMNAPDE4ACYP1A2NFKB1ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 — — EP disclosed
US-4833146-A BRAINS, BLOOD DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-23 — — US disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 — — EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 — — WO disclosed
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