SCHEMBL9688080

SCHEMBL9688080

[CH2]C(C(=O)OC)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
CREBBP Q92793 1/20 0.53
GPR84 Q9NQS5 3/20 0.49
FFAR1 O14842 2/20 0.49
NOD2 Q9HC29 1/20 0.48
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL4771578 1.00 NR4A2 (0.53) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL4766917 1.00 NR4A2 (0.53) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL5881120 0.84 NR4A2 (0.55) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL6287232 0.83 ALDH1A1 (0.55) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL6287227 0.83 NR4A2 (0.54) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL1327936 0.83 GPR84 (0.54) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL29800817 0.83 GPR84 (0.54) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL9583795 0.82 NR4A2 (0.53) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL3334190 0.82 NR4A2 (0.53) NR4A2CREBBPGPR84FFAR1NOD2
SCHEMBL3971936 0.81 MEN1 (0.56) GPR84FFAR1NOD2MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed