SCHEMBL7040044

SCHEMBL7040044

CCCC1CCC(C(O)CC(=O)OCC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 2/20 0.39
CYP2D6 P10635 1/20 0.37
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP2C9 P11712 1/20 0.33
METAP2 P50579 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TRPA1 O75762 1/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CNR2 P34972 1/20 0.32
EPHX2 P34913 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
SCHEMBL7040043 1.00 UGT2B7 (0.39) UGT2B7CYP2D6MGAMGAASI
SCHEMBL10990788 0.88 UGT2B7 (0.45) UGT2B7CYP2D6MGAMGAASI
SCHEMBL13681637 0.80 CYP2D6 (0.47) UGT2B7CYP2D6L3MBTL1ALDH1A1MAPT
SCHEMBL5682017 0.80 CYP2D6 (0.47) UGT2B7CYP2D6L3MBTL1ALDH1A1MAPT
SCHEMBL12469225 0.78 TSHR (0.41) UGT2B7CYP2D6MGAMGAASI
SCHEMBL6838714 0.77 L3MBTL1 (0.50) CYP2C9METAP2L3MBTL1ALDH1A1MAPT
SCHEMBL10355262 0.77 L3MBTL1 (0.50) CYP2C9METAP2L3MBTL1ALDH1A1MAPT
SCHEMBL12590379 0.76 MGAM (0.41) MGAMGAASIMGAM2CYP2C9
SCHEMBL14473403 0.76 MGAM (0.41) MGAMGAASIMGAM2CYP2C9
SCHEMBL2888704 0.76 MAPT (0.42) CYP2D6CYP2C9L3MBTL1ALDH1A1ALOX15

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-0967261-B1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition CHISSO CORP (JP) 2003-04-02 EP disclosed
EP-0967261-A1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition Chisso Corporation (JP) 1999-12-29 EP disclosed