SCHEMBL7174663

SCHEMBL7174663

C=CCOC(=O)C1C(C)CCCC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PEPD P12955 1/20 0.33
PPM1B O75688 2/20 0.32
PTPN1 P18031 2/20 0.32
PPP1CC P36873 2/20 0.32
EPHX1 P07099 1/20 0.32
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ACE P12821 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
SCHEMBL12440412 0.94 TSHR (0.34) ALDH1A1GAAEPHX1TSHRPOLB
SCHEMBL1326039 0.84 PEPD (0.36) ALDH1A1GAAPEPDPPM1BPTPN1
SCHEMBL2321591 0.83 SNCA (0.42) ALDH1A1TSHRPOLBMAPK1
SCHEMBL1326038 0.82 TSHR (0.38) ALDH1A1GAATSHRPOLBMAPK1
SCHEMBL27351320 0.81 PEPD (0.42) ALDH1A1GAAPEPDTSHRPOLB
SCHEMBL25184942 0.80 TSHR (0.42) ALDH1A1PPM1BPTPN1PPP1CCTSHR
SCHEMBL3290514 0.80 EPHX1 (0.44) ALDH1A1GAAEPHX1TSHRPOLB
SCHEMBL1220674 0.78 TP53 (0.43) ALDH1A1GAAPEPDTSHRPOLB
SCHEMBL28849182 0.75 TP53 (0.58) ALDH1A1PPM1BPTPN1PPP1CCACE
SCHEMBL233752 0.74 PPM1B (0.44) ALDH1A1PPM1BPTPN1PPP1CCEPHX1

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-1328560-A2 PLASTIC LENS COMPOSITION, PLASTIC LENS, AND PROCESS FOR PRODUCING THE PLASTIC LENS Showa Denko K.K. (JP) 2003-07-23 EP disclosed
WO-2002026843-A2 PLASTIC LENS COMPOSITION, PLASTIC LENS, AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2002-04-04 WO disclosed