Calcium

Calcium

SCHEMBL11208488

[3H]C(CCC)CC([3H])CCOc1ccc(C(CCCC)P(=O)(O)O)cc1.[3H]C(CCC)CC([3H])CCOc1ccc(C(CCCC)P(=O)(O)O)cc1.[Ca]

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39

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
Calcium SCHEMBL11212143 0.95 SLC2A1 (0.44) SLC2A1S1PR2S1PR1S1PR3LPAR2
SCHEMBL3234995 0.74 FDPS (0.46)
SCHEMBL1246417 0.73 ACP3 (0.62)
SCHEMBL9862024 0.72 GAA (0.43) MAPK1SMN1; SMN2LPAR2
SCHEMBL28253390 0.72 MMP2 (0.44)
SCHEMBL11232157 0.67 ACP3 (0.58)
SCHEMBL21101801 0.67 ACP3 (0.58)
SCHEMBL11297491 0.67 ACP3 (0.58)
SCHEMBL6545481 0.67 ACACB (0.41) SMN1; SMN2
Phosphoric Acid SCHEMBL10906343 0.66 L3MBTL1 (0.55)

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
EP-0003058-B1 STABILIZED POLYPROPYLENE CIBA-GEIGY AG (CH) 1983-02-16 EP disclosed