SCHEMBL5779987

SCHEMBL5779987

CCC(=O)Oc1noc(-c2c(-c3ccccc3)noc2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.49
PTGS1 P23219 3/20 0.49
NR4A2 P43354 1/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
IRS1 P35568 1/20 0.44
MAPK14 Q16539 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MT-CO2 P00403 3/20 0.43
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL5779982 0.77 IRS1 (0.51) PTGS2PTGS1NR4A2MAPTKMT2A
SCHEMBL8476489 0.75 PTGS2 (0.51) PTGS2PTGS1NR4A2MAPTKMT2A
SCHEMBL5432044 0.74 IRS1 (0.51) PTGS2PTGS1NR4A2MAPTKMT2A
SCHEMBL5418130 0.74 KMT2A (0.58) PTGS2PTGS1NR4A2MAPTKMT2A
SCHEMBL6983193 0.74 PTGS2 (0.67) PTGS2PTGS1MAPTKMT2ANPSR1
SCHEMBL5431928 0.74 NOTUM (0.63) PTGS2PTGS1NR4A2MAPTKMT2A
SCHEMBL5428577 0.71 PTGS2 (0.58) PTGS2PTGS1MAPTKMT2ANPSR1
SCHEMBL6979314 0.70 PTGS2 (0.59) PTGS2PTGS1MAPTKMT2ANPSR1
SCHEMBL2277199 0.69 PTGS2 (1.00) PTGS2PTGS1MAPTKMT2ANPSR1
SCHEMBL9396573 0.68 HDAC6 (0.53) MAPTKMT2AALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 WO disclosed