SCHEMBL7571504

SCHEMBL7571504

CCN(CC(O)CO)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
SCN5A Q14524 1/20 0.38
KCND3 Q9UK17 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL25761576 1.00 KCNA5 (0.38) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL20753133 0.87 LMNA (0.42) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL25685120 0.84 ALDH1A1 (0.35) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL20243265 0.83 TSHR (0.36) TSHRFDPS
SCHEMBL25724096 0.83 TSHR (0.36) TSHRFDPS
SCHEMBL26075273 0.83 TSHR (0.36) TSHRFDPS
SCHEMBL24292469 0.82 KCNA5 (0.50) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL4147100 0.82 KCNA5 (0.36) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL7571489 0.79 FDPS (0.33) FDPS
SCHEMBL20243274 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
EP-4400491-A1 NOVEL LIPIDS USED FOR NUCLEIC ACID DELIVERY AND LIPID NANOPARTICLE COMPOSITION Themedium Therapeutics Co., Ltd (CN) 2024-07-17 EP disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed