SCHEMBL6013398

SCHEMBL6013398

CCOC(=O)C=C1CCC(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK14 Q16539 2/20 0.41
HTR2B P41595 1/20 0.41
BCHE P06276 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.38
OPRM1 P35372 2/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL6013397 1.00 ESR2 (0.50) ESR2L3MBTL1ALDH1A1MAPTCYP2C9
SCHEMBL5690573 0.89 L3MBTL1 (0.50) ESR2L3MBTL1ALDH1A1MAPTCYP2C9
SCHEMBL17893391 0.79 ESR2 (0.50) ESR2L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL17892441 0.79 ESR2 (0.50) ESR2L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL26649191 0.77 ESR2 (0.44) ESR2ALDH1A1MAPTBCHEOPRM1
SCHEMBL29240499 0.77 ESR2 (0.56) ESR2L3MBTL1ALDH1A1MAPTBCHE
SCHEMBL15777843 0.76 ESR2 (0.45) ESR2L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL15777840 0.76 ESR2 (0.45) ESR2L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL15777838 0.76 ESR2 (0.45) ESR2L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL15777837 0.76 ESR2 (0.45) ESR2L3MBTL1ALDH1A1MAPTMEN1

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-7122678-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER-LAMBERT COMPANY (US) 2006-10-17 US claimed