SCHEMBL7187426

SCHEMBL7187426

CC1(COC(=O)c2ccc(C(=O)OCC3(C)CO3)c(C(=O)OCC3(C)CO3)c2)CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
TSHR P16473 5/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HPGD P15428 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL27550251 0.87 MYC (0.38) ALDH1A1TSHRMAPK1KDM4EL3MBTL1
SCHEMBL7182746 0.86 ESR1 (0.43) ALDH1A1TSHRMAPK1CA12CA1
SCHEMBL11422501 0.83 RAB9A (0.40) ALDH1A1MAPK1KDM4EL3MBTL1ATM
SCHEMBL11422522 0.83 TSHR (0.52) ALDH1A1TSHRMAPK1CA2L3MBTL1
SCHEMBL27522136 0.80 MAPT (0.46) ALDH1A1TSHRMAPK1CA12CA1
SCHEMBL7188011 0.80 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1HPGDKDM4E
SCHEMBL19487349 0.78 TSHR (0.64) ALDH1A1TSHRMAPK1KMT2AKDM4E
SCHEMBL3903585 0.75 ATM (0.51) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL3899546 0.75 ATM (0.51) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL196342 0.75 ATM (0.51) ALDH1A1MAPK1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906941-B1 WEATHER-RESISTANT RESIN COMPOSITION FOR POWDER COATING NISSAN CHEMICAL IND LTD (JP) 2003-08-13 EP disclosed
US-6084035-A BIS(BETA-METHYLGLYCIDYL)TEREPHTHALATE CURING AGENT, CARBOXYL GROUP-CONTAINING RESIN, AND A RING-OPENING POLYMERIZATION INHIBITOR SELECTED FROM A COMPOUND HAVING AN AMIDINE LINKAGE, TRIARYLPHOSPHINES, AND ONIUM SALTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-04 US disclosed
EP-0906941-A1 WEATHER-RESISTANT RESIN COMPOSITION FOR POWDER COATING NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-04-07 EP disclosed