SCHEMBL8795115

SCHEMBL8795115

CCOC(=O)c1[nH]c2c(Cl)cccc2c1C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.62
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
ALOX5 P09917 10/20 0.51
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
PTGES O14684 5/20 0.48
ALOX15 P16050 3/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 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
SCHEMBL4090248 0.87 CDK1 (0.57) RXFP1CDK1CCNB1ALOX5MEN1
SCHEMBL8794998 0.82 GAA (0.58) ALOX5MEN1MAPTKMT2ALMNA
SCHEMBL7528152 0.82 MAP2 (0.64) RXFP1CDK1CCNB1ALOX5MEN1
SCHEMBL28265675 0.81 HTR6 (0.51) RXFP1CDK1CCNB1ALOX5MEN1
SCHEMBL8793753 0.80 KDM4E (0.57) RXFP1ALOX5MEN1MAPTKMT2A
SCHEMBL10461607 0.80 KMT2A (0.51) ALOX5MEN1MAPTKMT2ALMNA
SCHEMBL11735067 0.78 CDK1 (0.51) RXFP1CDK1CCNB1ALOX5MEN1
SCHEMBL8794573 0.78 ALOX15 (0.51) RXFP1MEN1MAPTKMT2AALOX15
SCHEMBL10464236 0.77 ALOX15 (0.47) ALOX5MEN1MAPTKMT2AALOX15
SCHEMBL18079064 0.77 RXFP1 (0.68) RXFP1CDK1CCNB1ALOX5MEN1

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