SCHEMBL6649727

SCHEMBL6649727

O=C(OCC=Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
AKR1B10 O60218 3/20 0.51
AKR1B1 P15121 3/20 0.51
CA12 O43570 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
ALDH1A1 P00352 3/20 0.47
IDO1 P14902 2/20 0.47
PAM P19021 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6823668 1.00 LMNA (0.59) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL293067 0.90 IDO1 (0.57) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL4651145 0.82 LMNA (0.61) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL3292040 0.82 MEN1 (0.51) LMNAMMP1MMP2MMP9MMP12
SCHEMBL3292037 0.82 MEN1 (0.51) LMNAMMP1MMP2MMP9MMP12
SCHEMBL28425115 0.81 MMP1 (0.52) LMNAMMP1MMP2MMP9MMP12
SCHEMBL37382 0.80 ALDH1A1 (0.68) LMNACA12CA9ALDH1A1HCAR2
SCHEMBL1158019 0.80 MMP1 (0.51) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL1158016 0.80 MMP1 (0.51) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL13923795 0.80 MMP1 (0.51) LMNAAKR1B10AKR1B1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154980-B1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES GOEDECKE GMBH (DE) 2004-05-26 EP disclosed
US-6740768-B1 REACTING ALKYL OR ARYL ALCOHOL AND HALIDE WITH CARBON DIOXIDE AND CESIUM CARBONATE AT ROOM TEMPERATURE IN DIPOLAR APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-05-25 US disclosed
EP-1154980-A1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES GÖDECKE GMBH (DE) 2001-11-21 EP disclosed
WO-2000047544-A1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES Gödecke GmbH (DE) 2000-08-17 WO disclosed