SCHEMBL8764976

SCHEMBL8764976

O=c1cc(O)cc2oc3cc(O)ccc3cc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.58
TYR P14679 2/20 0.56
PTGS2 P35354 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4D Q08499 1/20 0.56
ESR2 Q92731 1/20 0.55
SHBG P04278 1/20 0.53
MIF P14174 9/20 0.53
NPC1 O15118 1/20 0.53
PTPN1 P18031 1/20 0.53
BACE1 P56817 1/20 0.53
PTPN12 Q05209 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL8764553 0.83 HPGD (0.54) TYRESR2NPC1PTPN1KDM4E
SCHEMBL5656903 0.74 USP2 (0.52) PTGS1TYRPTGS2PDE4BPDE4D
SCHEMBL28142014 0.73 PTGS1 (1.00) PTGS1TYRPTGS2PDE4BPDE4D
Moracin M SCHEMBL29979946 0.72 PDE4D (1.00) PTGS1TYRPTGS2PDE4BPDE4D
Moracin M SCHEMBL1740981 0.72 PDE4D (1.00) PTGS1TYRPTGS2PDE4BPDE4D
SCHEMBL2166723 0.71 ESR2 (1.00) PTGS1ESR2MIFNPC1KDM4E
SCHEMBL9809597 0.70 MAOB (0.47) MIFKDM4EALDH1A1HPGDTDP1
SCHEMBL308343 0.70 SHBG (0.67) PTGS1TYRPTGS2PDE4BPDE4D
SCHEMBL5296804 0.69 HSD17B3 (0.68) PTGS1TYRESR2MIFNPC1
SCHEMBL9138143 0.69 SHBG (1.00) PTGS1TYRPTGS2PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620918-B1 CARBON DIOXIDE DETECTOR JOHNSON & JOHNSON PROFESSIONAL (GB) 1997-07-30 EP claimed
EP-0448923-B1 Method and apparatus for detecting biological activities in a specimen AVL PHOTRONICS CORP (US) 1996-01-03 EP claimed
EP-0105870-B1 MEASUREMENT DEVICE FOR DETERMINING THE CARBON DIOXIDE CONTENT OF A SAMPLE AVL AG (CH) 1987-02-11 EP disclosed
EP-0105870-A2 Measurement device for determining the carbon dioxide content of a sample AVL AG (CH) 1984-04-18 EP disclosed