SCHEMBL11650562

SCHEMBL11650562

C[C@H](OC(=O)C(C)(C)C)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 12/20 0.65
ATP1B1 P05026 12/20 0.65
ATP1A3 P13637 12/20 0.65
ATP1B2 P14415 12/20 0.65
ATP1A2 P50993 12/20 0.65
ATP1B3 P54709 12/20 0.65
FXYD2 P54710 12/20 0.65
ATP1A4 Q13733 12/20 0.65
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
EFNA1 P20827 1/20 0.39
EPHA2 P29317 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEN1 O00255 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
SCHEMBL11647609 1.00 ATP1A1 (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11647610 1.00 ATP1A1 (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11515405 0.86 ATP1A1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11649249 0.86 ATP1A1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11649247 0.86 ATP1A1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11519377 0.86 ATP1A1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11516654 0.86 ATP1A1 (0.67) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11516653 0.86 ATP1A1 (0.67) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11585461 0.77 ATP1A1 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11519321 0.77 ATP1A1 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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-4102883-A 19,8-Lactone steroid derivatives and processes of preparation thereof STEELE CHEMICALS CO. LTD. (CA) 1978-07-25 US disclosed