SCHEMBL11515410

SCHEMBL11515410

CC(OC(=O)C(C)(C)C)[C@H]1CC[C@]2(O)[C@]1(C)CC[C@@H]1[C@@]3(CO)CCCCC3CC[C@]12O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32

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
SCHEMBL11519325 0.88 ATP1A1 (0.34) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11515405 0.82 ATP1A1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11519377 0.82 ATP1A1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11516488 0.76 USP2 (0.33)
SCHEMBL11653302 0.73
SCHEMBL11647610 0.71 ATP1A1 (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11650562 0.71 ATP1A1 (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11647609 0.71 ATP1A1 (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11585461 0.71 ATP1A1 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11519321 0.71 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-4134891-A 14-Functionalized 8,19-oxido steroids and processes for preparation thereof STEELE CHEMICALS CO. LTD. (CA) 1979-01-16 US disclosed