SCHEMBL888425

SCHEMBL888425

CCCCC(=O)OC1CCCCC1(CC(C)C)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34
POLB P06746 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGS1 P23219 1/20 0.34
ATM Q13315 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27665877 0.71 NAAA (0.40) NAAALMNAMAPTKMT2AESR1
SCHEMBL31465167 0.71 NAAA (0.39) NAAALMNAMAPTKMT2AMEN1
SCHEMBL31205970 0.66 LMNA (0.45) NAAALMNAMAPTKMT2AESR1
SCHEMBL4978860 0.66 NAAA (0.86) NAAASMN1; SMN2EPHX2
SCHEMBL28446549 0.66 NAAA (0.62) NAAASMN1; SMN2
SCHEMBL28446547 0.66 NAAA (0.62) NAAASMN1; SMN2
SCHEMBL8690279 0.65 NAAA (0.72) NAAASMN1; SMN2
SCHEMBL23270900 0.64 NAAA (0.86) NAAALMNASMN1; SMN2EPHX2
SCHEMBL1177076 0.64 NAAA (0.86) NAAALMNASMN1; SMN2EPHX2
SCHEMBL8690525 0.64 NAAA (0.86) NAAALMNASMN1; SMN2EPHX2

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-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed