SCHEMBL14027147

SCHEMBL14027147

C[C@@]1(CO)CCC(C2CCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
ATP1A1 P05023 14/20 0.33
ATP1B1 P05026 14/20 0.33
ATP1A3 P13637 14/20 0.33
ATP1B2 P14415 14/20 0.33
ATP1A2 P50993 14/20 0.33
ATP1B3 P54709 14/20 0.33
FXYD2 P54710 14/20 0.33
ATP1A4 Q13733 14/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.33
NR1H3 Q13133 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
SCHEMBL26196760 0.82 EPHX1 (0.42) CYP19A1EPHX1
SCHEMBL8372233 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9642242 0.77 CYP19A1 (0.36) CYP19A1
SCHEMBL9642201 0.77 CYP19A1 (0.45) CYP19A1ALDH1A1
SCHEMBL10448227 0.76 ATP1A1 (0.32) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL22353336 0.75 CYP19A1 (0.37) CYP19A1EPHX1
SCHEMBL27411627 0.73 CYP19A1 (0.34) CYP19A1
SCHEMBL10447665 0.73 ATP1A1 (0.31) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8922242 0.71 ATP1A1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL14401882 0.71

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-7446047-B2 Metal structure with sidewall passivation and method TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2008-11-04 US disclosed