SCHEMBL6559151

SCHEMBL6559151

COc1cc(C(=O)OC(=O)c2cc(O)cc(O)c2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
CYP3A4 P08684 1/20 0.59
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TPMT P51580 1/20 0.50
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49

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
SCHEMBL8148063 0.91 MEN1 (0.61) MAPTCYP3A4KMT2AMEN1TPMT
SCHEMBL4738086 0.84 TPMT (0.57) MAPTCYP3A4KMT2AMEN1TPMT
3,4,5-Trimethoxybenzoic Acid SCHEMBL6559147 0.84 TPMT (0.71) MAPTCYP3A4CA12CA1CA2
SCHEMBL7123362 0.81 MEN1 (0.56) MAPTCYP3A4KMT2AMEN1TPMT
SCHEMBL8148066 0.81 TSHR (0.59) MAPTKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL28276553 0.80 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL10887444 0.80 MEN1 (0.54) MAPTKMT2AMEN1TSHRSMN1; SMN2
Methyl Syringate SCHEMBL211747 0.79 MEN1 (0.61) MAPTCYP3A4CA12CA1CA2
SCHEMBL28512343 0.79 PKM (0.67) MAPTCYP3A4CA12CA1CA2
SCHEMBL10876059 0.79 ABCG2 (0.53) MAPTKMT2AMEN1TPMTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404372-A1 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 Sarlan, Ltd. (BM) 2004-04-07 EP disclosed
WO-2003004062-A9 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 SARLAN LTD 2003-04-10 WO disclosed
WO-2003004062-A1 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 SARLAN, LTD. (BM) 2003-01-16 WO disclosed