SCHEMBL11089397

SCHEMBL11089397

O=C(O)Cc1cccc(Oc2ccc(Cl)cc2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
PPARA Q07869 1/20 0.45
CXCL8 P10145 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
TLR8 Q9NR97 1/20 0.42
SLC1A5 Q15758 1/20 0.41
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CAMK2A Q9UQM7 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11094346 0.89 CAMK2A (0.50) CHRM1CXCL8PTGDR2CAMK2AFABP4
SCHEMBL11095644 0.84 ALDH1A1 (0.41) PPARATLR8HTR2ASLC6A4SLC6A2
SCHEMBL11094809 0.84 CHRM1 (0.69) CHRM1CXCL8SLC6A4SLC6A2SLC6A3
SCHEMBL11095924 0.83 CXCL8 (0.68) CHRM1CXCL8SLC6A4SLC6A2SLC6A3
SCHEMBL11090351 0.82 CXCL8 (0.55) CHRM1CXCL8TLR8SMN1; SMN2CAMK2A
SCHEMBL872958 0.81 CXCL8 (0.67) CHRM1PPARACXCL8PTGDR2SLC1A5
SCHEMBL11121989 0.80 CHRM1 (0.51) CHRM1PPARACXCL8PTGDR2SLC1A5
SCHEMBL13905046 0.79 HPGD (0.50) CXCL8SMN1; SMN2MAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL872909 0.79 CHRM1 (0.65) CHRM1PPARACXCL8PTGDR2SLC1A5
SCHEMBL11096559 0.78 HPGD (0.47) CHRM1CXCL8SMN1; SMN2MEN1KMT2A

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-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-B1 PHENYL-ALKANOIC ACID DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-02 EP disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed