SCHEMBL8794573

SCHEMBL8794573

CCOC(=O)c1[nH]c2cccc(Cl)c2c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.51
MAP3K5 Q99683 1/20 0.51
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48

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
SCHEMBL7566334 0.87 MAPT (0.53) ALOX15MAP3K5MEN1MAPTKMT2A
SCHEMBL1366500 0.85 KDM4E (0.51) MAP3K5MEN1MAPTKMT2AKDM4E
SCHEMBL8794753 0.83 ALOX15 (0.57) ALOX15ALDH1A1
SCHEMBL8795113 0.83 MAP3K5 (0.48) ALOX15MAP3K5MAPTTUBB4ATUBB
SCHEMBL9449759 0.83 GPR17 (0.54) ALOX15MAP3K5MEN1MAPTKMT2A
SCHEMBL8794978 0.82 KDM4E (0.62) MAP3K5MAPTTUBB4ATUBBTUBA3C
SCHEMBL31486056 0.82 MAP3K5 (0.50) MAP3K5MEN1MAPTKMT2AKDM4E
SCHEMBL15622537 0.81 MCL1 (0.53) ALOX15MAP3K5MEN1MAPTKMT2A
SCHEMBL16029767 0.80 MAP3K5 (0.60) MAP3K5MEN1MAPTKMT2AKDM4E
SCHEMBL7834281 0.80 HTR6 (0.46) ALOX15MAP3K5MEN1MAPTKMT2A

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
US-5652239-A TREATMENT OF STROKES, ISCHEMIC ATTACK, ANTAGONISTS OF EXCITATORY AMINO ACIDS GLUTAMATE AND ASPARTATE IMPERIAL CHEMICAL COMPANY (GB) 1997-07-29 US disclosed
EP-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP disclosed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP disclosed