Calcium

Calcium

SCHEMBL11375342

CC(=O)CCCC(C)=O.[Ca]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
PAOX Q6QHF9 5/20 0.55
ACHE P22303 1/20 0.55
LMNA P02545 3/20 0.50
SLC15A2 Q16348 1/20 0.50
TDP1 Q9NUW8 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.41
TRPA1 O75762 1/20 0.41
TSHR P16473 1/20 0.40
CES1 P23141 1/20 0.36

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
SCHEMBL988309 0.96
Water SCHEMBL9509869 0.92 ALDH1A1 (0.64) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL620309 0.88 ALDH1A1 (0.69) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL28361398 0.86 ALDH1A1 (0.56) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL8421741 0.85 PAOX (0.72) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL11375880 0.85 PAOX (0.72) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL2775487 0.85 PAOX (0.72) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL3626142 0.85 PAOX (0.72) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL21818217 0.85 PAOX (0.72) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL16723870 0.85 PAOX (0.72) ALDH1A1PAOXACHELMNASLC15A2

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-4252698-A A OVERBASED SULFONATE OR PHENOLATE, AND A 1,3-DIKETONE FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-02-24 US disclosed