SCHEMBL669351

SCHEMBL669351

COc1cc(C(=O)OO)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 3/20 0.53
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53
TUBB6 Q9BUF5 2/20 0.53
TUBB2B Q9BVA1 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53

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
Methyl Syringate SCHEMBL211747 0.85 MEN1 (0.61) MEN1KMT2ATSHRSMN1; SMN2TUBB4A
SCHEMBL8148063 0.85 MEN1 (0.61) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL7960025 0.83 MEN1 (0.59) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL11790985 0.82 MEN1 (0.57) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL11790977 0.82 MEN1 (0.57) MEN1KMT2ATSHRSMN1; SMN2HTT
3,4,5-Trimethoxybenzamide SCHEMBL1326890 0.81 TSHR (0.76) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL4819729 0.80 TUBB4A (0.75) TSHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4625442 0.80 TUBB1 (0.58) MEN1KMT2ATSHRHTTTUBB4A
SCHEMBL7123362 0.80 MEN1 (0.56) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL28469235 0.80 MEN1 (0.61) MEN1KMT2ATSHRSMN1; SMN2HTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4221660-A AROMATIC PERCARBOXYLIC ACID, FOR WATER SYSTEMS STERLING DRUG INC. (US) 1980-09-09 US claimed
EP-2606175-B1 METHOD FOR REMOVING HEXENURONIC ACIDS ÅBO AKADEMI UNIVERSITY (FI) 2016-04-20 EP disclosed
EP-2606175-A1 METHOD FOR REMOVING HEXENURONIC ACIDS Åbo Akademi University (FI) 2013-06-26 EP disclosed
WO-2012022840-A1 METHOD FOR REMOVING HEXENURONIC ACIDS ÅBO AKADEMI UNIVERSITY (FI) 2012-02-23 WO disclosed
US-20070037721-A1 Moistened disposable wipe for controlling allergens THE PROCTER & GAMBLE COMPANY (US) 2007-02-15 US disclosed
US-20070037721-A1 Moistened disposable wipe for controlling allergens THE PROCTER & GAMBLE COMPANY (US) 2007-02-15 US disclosed
US-4259383-A PEROXY COMPOUNDS STERLING DRUG INC. (US) 1981-03-31 US disclosed
US-4221660-A AROMATIC PERCARBOXYLIC ACID, FOR WATER SYSTEMS STERLING DRUG INC. (US) 1980-09-09 US disclosed