SCHEMBL18902159

SCHEMBL18902159

C=C(C)C(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(O)C(=C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.46
CA12 O43570 4/20 0.46
CA4 P22748 4/20 0.46
CA6 P23280 4/20 0.46
CA5A P35218 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
CA1 P00915 3/20 0.46
AKR1B10 O60218 3/20 0.42
AKR1B1 P15121 3/20 0.42
MAOB P27338 1/20 0.41
KMT2A Q03164 3/20 0.39
HTR7 P34969 1/20 0.39
APP P05067 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TTR P02766 2/20 0.38
ALOX5 P09917 2/20 0.37

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
SCHEMBL3437301 0.88 MET (0.53) METCA12CA4CA6CA5A
SCHEMBL3437291 0.85 MET (0.50) METCA12CA4CA6CA5A
SCHEMBL20827829 0.83 POLB (0.40) TDP1MAPTSMN1; SMN2TSHR
SCHEMBL18472708 0.81 CA12 (0.47) METCA12CA4CA6CA5A
SCHEMBL21083297 0.81 CA12 (0.38) METCA12CA4CA6CA5A
SCHEMBL3437300 0.81 MET (0.53) METCA12CA4CA6CA5A
SCHEMBL3437286 0.78 MET (0.50) METCA12CA4CA6CA5A
SCHEMBL16541702 0.77 CA12 (0.46) METCA12CA4CA6CA5A
SCHEMBL3437307 0.77 CA12 (0.46) METCA12CA4CA6CA5A
SCHEMBL13481051 0.77 POLB (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173457-A1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME DIC Corporation (JP) 2017-05-31 EP disclosed