SCHEMBL8658665

SCHEMBL8658665

CCOP(=O)(CC)OCCCn1c(=O)c2c(ncn2CC)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
NFKB1 P19838 2/20 0.49
ACHE P22303 2/20 0.49
PMP22 Q01453 2/20 0.49
ESR1 P03372 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
ADORA2B P29275 6/20 0.49
ADORA2A P29274 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
TNF P01375 4/20 0.47
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
TRPA1 O75762 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL8660178 0.97 PDE4A (0.51) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8656385 0.93 PDE4A (0.59) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8660222 0.92 ADORA2B (0.56) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8656181 0.91 PDE4A (0.47) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8656410 0.89 PDE4A (0.61) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8658556 0.89 TNF (0.59) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8656403 0.89 ADORA2B (0.55) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8660013 0.89 PDE4A (0.60) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8656830 0.88 PDE4A (0.48) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8658569 0.88 PDE4A (0.45) PDE4ALMNACYP1A2NFKB1ACHE

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
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed