SCHEMBL11101046

SCHEMBL11101046

COc1cc(C2OCCO2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.58
PTPN1 P18031 1/20 0.58
PTAFR P25105 2/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK3 P27361 1/20 0.49
MAPK1 P28482 1/20 0.49
TUBB4A P04350 5/20 0.46
TUBB P07437 5/20 0.46
TUBA3C P0DPH7 5/20 0.46
TUBA1B P68363 5/20 0.46
TUBA4A P68366 5/20 0.46
TUBB4B P68371 5/20 0.46
TUBB3 Q13509 5/20 0.46
TUBB2A Q13885 5/20 0.46
TUBB8 Q3ZCM7 5/20 0.46
TUBA3E Q6PEY2 5/20 0.46
TUBA1A Q71U36 5/20 0.46
TUBA1C Q9BQE3 5/20 0.46
TUBB6 Q9BUF5 5/20 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
SCHEMBL13414990 0.92 ACHE (0.54) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL8885280 0.88 ACHE (0.46) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL8886456 0.84 FPR2 (0.45) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL8886677 0.84 ACHE (0.43) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL5783392 0.82 PTPN1 (0.40) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL7814590 0.81 ACHE (0.44) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL4178653 0.80 ACHE (0.40) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL18288113 0.78 ALDH1A1 (0.58) ACHEPTAFRMAPK3MAPK1ALDH1A1
SCHEMBL5785856 0.78 PTPN1 (0.39) ACHEPTPN1PTAFRMEN1KMT2A
SCHEMBL6822928 0.78 PTAFR (0.69) ACHEPTPN1PTAFRMEN1KMT2A

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-0046307-B1 NOVEL URACIL DERIVATIVES, PROCESS FOR PREPARING THE SAME AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1984-11-21 EP disclosed
US-4415573-A ANTITUMOR AND ANTICARCINOGENIC AGENTS; REACTING A 1,3-DIOXOLANE AND A URACIL USING AN ACID CATALYST AND SOLVENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1983-11-15 US disclosed
EP-0046307-A1 Novel uracil derivatives, process for preparing the same and a pharmaceutical composition containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-02-24 EP disclosed