SCHEMBL16660482

SCHEMBL16660482

C[C@]12CCC([C@@H]3CCN[C@H]3C(=O)O)C[C@H]1CC[C@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 4/20 0.55
ATP1B1 P05026 4/20 0.55
ATP1A3 P13637 4/20 0.55
ATP1B2 P14415 4/20 0.55
ATP1A2 P50993 4/20 0.55
ATP1B3 P54709 4/20 0.55
FXYD2 P54710 4/20 0.55
ATP1A4 Q13733 4/20 0.55
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
AR P10275 1/20 0.41
ZFP91 Q96JP5 1/20 0.41
CYP3A7 P24462 1/20 0.36
STAT3 P40763 1/20 0.31

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
SCHEMBL16660470 1.00 ATP1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL16660504 1.00 ATP1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL716075 0.82 ATP1A1 (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL716076 0.81 ATP1A1 (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL716074 0.81 ATP1A1 (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL16660483 0.80 ATP1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL16660480 0.80 ATP1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15527092 0.80 ATP1A1 (0.60) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL16660481 0.79 ATP1A1 (0.54) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15527487 0.79 ATP1A1 (0.59) 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-9018197-B2 Tetradecahydro-1H-cyclopenta[a]phenanthrene compounds, compositions, and related methods of use SUZHOU NEUPHARMA CO. LTD. (CN) 2015-04-28 US claimed