SCHEMBL4603085

SCHEMBL4603085

[CH2]CC1(CC(=O)OCC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 3/20 0.33
ELANE P08246 1/20 0.33
SOAT1 P35610 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL7515086 0.83 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1660371 0.82 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3903468 0.80 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30828827 0.80 ALDH1A1 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18573883 0.80 CYP1A2 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16753659 0.80 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2048291 0.79 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7848700 0.79 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL798209 0.78 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20994600 0.78 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940768-A1 CYCLOPROPYLACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045367-A1 CYCLOPROPYLACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed