Isovanillic Acid Methyl Ester

Isovanillic Acid Methyl Ester

SCHEMBL1561708

COC(=O)c1cc(OCCc2cccc(Cl)c2)c(OC)cc1[N+](=O)[O-].COC(=O)c1ccc(OC)c(O)c1

nearest known ligand 0.46

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 1/20 0.46
▸ LMNA P02545 2/20 0.42
▸ G6PD P11413 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL1989114 0.91 LMNA (0.48) LPAR1LMNAG6PDCRHBPCRHR2
Isovanillic Acid Methyl Ester SCHEMBL1560433 0.88 LPAR1 (0.50) LPAR1MEN1MAPTKMT2AACHE
Isovanillic Acid Methyl Ester SCHEMBL1560813 0.86 LPAR1 (0.49) LPAR1MEN1KMT2AACHESCD
SCHEMBL1560333 0.80 LPAR1 (0.64) LPAR1LMNAMEN1MAPTKMT2A
SCHEMBL25039485 0.78 ALDH1A1 (0.47) LMNAMEN1MAPTKMT2ANPC1
SCHEMBL29729342 0.78 ALDH1A1 (0.47) LMNAMEN1MAPTKMT2ANPC1
SCHEMBL1990286 0.77 LPAR1 (0.51) LPAR1LMNAMEN1MAPTKMT2A
SCHEMBL1988472 0.76 LPAR1 (0.49) LPAR1LMNAMEN1MAPTKMT2A
Isovanillic Acid Methyl Ester SCHEMBL1561379 0.74 P4HB (0.47) LPAR1MAPT
SCHEMBL1561309 0.74 LPAR1 (0.55) LPAR1LMNAMEN1KMT2ANPC1

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-2303270-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Sanofi-aventis (FR) 2011-04-06 — — EP disclosed
WO-2009135590-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-11-12 — — WO disclosed
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