SCHEMBL18333387

SCHEMBL18333387

C=CC(=O)OCCC(=O)OCCc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.55
CA12 O43570 4/20 0.55
CA4 P22748 4/20 0.55
CA6 P23280 4/20 0.55
CA5A P35218 4/20 0.55
CA7 P43166 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
CA5B Q9Y2D0 4/20 0.55
CA1 P00915 3/20 0.55
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
MAOB P27338 1/20 0.48
THRB P10828 1/20 0.48
APP P05067 2/20 0.47
TYR P14679 1/20 0.44
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL17693814 0.95 MET (0.56) METCA12CA4CA6CA5A
SCHEMBL17693819 0.92 MET (0.52) METCA12CA4CA6CA5A
SCHEMBL17693845 0.92 ALDH1A1 (0.53) METCA12CA4CA6CA5A
SCHEMBL969345 0.91 MET (0.64) METCA12CA4CA6CA5A
SCHEMBL17693823 0.87 MET (0.54) METCA12CA4CA6CA5A
SCHEMBL24993768 0.85 MET (0.46) METCA12CA4CA6CA5A
SCHEMBL9806249 0.84 TSHR (0.59) METCA12CA4CA6CA5A
SCHEMBL17693846 0.83 THRB (0.51) METCA12CA4CA6CA5A
SCHEMBL19047031 0.82 APP (0.59) METCA12CA4CA6CA5A
SCHEMBL27467709 0.81 AKR1B10 (0.57) METCA12CA4CA6CA5A

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-3112930-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC Corporation (JP) 2017-01-04 EP disclosed
US-20160370626-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-12-22 US disclosed