Calcium Chloride

Calcium Chloride

SCHEMBL21625034

Cl[Ca]Cl.Cn1sccc1=O

nearest known ligand 0.82

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 1/20 0.45
ALDH1A1 P00352 2/20 0.41
G6PD P11413 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KAT2B Q92831 10/20 0.39
EP300 Q09472 5/20 0.39
IDO1 P14902 2/20 0.38
PIN1 Q13526 1/20 0.38
GSK3A P49840 1/20 0.33

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
SCHEMBL17863 0.93
Calcium SCHEMBL5072615 0.90
Hydrochloric Acid SCHEMBL11177863 0.88 INMT (0.46) INMTALDH1A1G6PDHPGDALOX15
Hydrochloric Acid SCHEMBL156132 0.88 INMT (0.46) INMTALDH1A1G6PDHPGDALOX15
SCHEMBL348332 0.82 KAT2B (0.42) INMTALDH1A1G6PDHPGDALOX15
Sulfuric Acid SCHEMBL9486476 0.80 INMT (0.41) INMTALDH1A1G6PDHPGDALOX15
SCHEMBL8576689 0.80 INMT (0.41) INMTALDH1A1G6PDHPGDALOX15
Nitric Acid SCHEMBL10592665 0.79 INMT (0.39) INMTALDH1A1G6PDHPGDALOX15
Nitric Acid SCHEMBL10454247 0.77 INMT (0.38) INMTALDH1A1G6PDHPGDALOX15
SCHEMBL8427538 0.76 KAT2B (0.70) INMTALDH1A1G6PDHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020017431-A1 INK COMPOSITION FOR INKJET TEXTILE PRINTING AND TEXTILE PRINTING METHOD FOR HYDROPHOBIC FIBER 日本化薬株式会社 2020-01-23 WO disclosed
CN-108026381-A Azo-compound, ink composite, ink jet recording method and tingle body 日本化药株式会社 2018-05-11 CN disclosed