SCHEMBL27675100

SCHEMBL27675100

CCC(=O)OC(C)C1CCC(N(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALOX5 P09917 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.30
LMNA P02545 2/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL27675099 1.00 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL13355186 0.87 LMNA (0.36) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL939671 0.82 ROCK2 (0.35) ALOX5LMNA
SCHEMBL18354410 0.80 TP53 (0.34) LMNA
SCHEMBL18354358 0.80 TP53 (0.34) LMNA
SCHEMBL18354412 0.80 TP53 (0.34) LMNA
SCHEMBL3784779 0.78 SHBG (0.40) LMNACTSLCTSBCTSK
SCHEMBL28771692 0.75 CPN1 (0.41) CHRNB2CHRNA3CHRNA4LMNA
SCHEMBL25293694 0.74 LMNA (0.32) LMNA
SCHEMBL28377083 0.73 LMNA (0.32) LMNA

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
CN-1934082-A Organic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 CN disclosed