Coumarinic Acid Methyl Ether

Coumarinic Acid Methyl Ether

SCHEMBL19717828

COc1ccc(/C=C/C(=O)O)c(CCC(C)C)c1.COc1ccccc1/C=C/C(=O)O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAOB P27338 1/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
NFE2L2 Q16236 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TFEB P19484 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
LMNA P02545 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
SCHEMBL196086 0.91 PTGER4 (0.48) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL290383 0.91 PTGER4 (0.48) GAAMAPTALDH1A1NPC1RAB9A
4-Methoxycinnamic Acid SCHEMBL19717829 0.85 THRB (0.58) GAANPC1RAB9ASMN1; SMN2PTGER4
SCHEMBL2834266 0.79 ALDH1A1 (0.50) GAAMAPTALDH1A1SMN1; SMN2PTGER4
SCHEMBL2834265 0.79 ALDH1A1 (0.50) GAAMAPTALDH1A1SMN1; SMN2PTGER4
Amiloxate SCHEMBL23114206 0.79 LMNA (0.69) GAAMAPTALDH1A1SMN1; SMN2PTGER4
SCHEMBL1716808 0.78 PTGER3 (0.54) MAPTPTGER4PTGER3PTGER2KDM4E
SCHEMBL489472 0.77 PTGER4 (0.51) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL489473 0.77 PTGER4 (0.51) GAAMAPTALDH1A1NPC1RAB9A
Coumarinic Acid Methyl Ether SCHEMBL22092089 0.77 KDM4E (0.68) GAAMAPTALDH1A1NPC1RAB9A

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-3471694-A1 SUNSCREEN COMPOSITIONS CONTAINING A COMBINATION OF A LINEAR ULTRAVIOLET RADIATION-ABSORBING POLYETHER AND OTHER ULTRAVIOLET-SCREENING COMPOUNDS Johnson & Johnson Consumer Inc. (US) 2019-04-24 EP disclosed
WO-2017218390-A1 SUNSCREEN COMPOSITIONS CONTAINING A COMBINATION OF A LINEAR ULTRAVIOLET RADIATION-ABSORBING POLYETHER AND OTHER ULTRAVIOLET-SCREENING COMPOUNDS JOHNSON & JOHNSON CONSUMER INC. (US) 2017-12-21 WO disclosed