SCHEMBL11094809

SCHEMBL11094809

O=C(O)Cc1cccc(Oc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.69
CXCL8 P10145 1/20 0.51
CAMK2A Q9UQM7 1/20 0.45
PLA2G1B P04054 1/20 0.44
MAPT P10636 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPD P32754 1/20 0.43
FFAR1 O14842 2/20 0.43
S1PR4 O95977 1/20 0.43
TTR P02766 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
SCHEMBL11095924 0.88 CXCL8 (0.68) CHRM1CXCL8CAMK2ASLC6A2SLC6A4
SCHEMBL11093624 0.85 CHRM1 (0.50) CHRM1PLA2G1BMAPTATG4BMRGPRX4
SCHEMBL11090351 0.84 CXCL8 (0.55) CHRM1CXCL8CAMK2ATTR
SCHEMBL11089397 0.84 CHRM1 (0.46) CHRM1CXCL8CAMK2AMAPTSLC6A2
SCHEMBL10585649 0.83 ALDH1A1 (0.53) CHRM1PLA2G1BMAPTATG4BMRGPRX4
Fenclofenac SCHEMBL25161 0.82 CHRM1 (1.00) CHRM1CXCL8CAMK2APLA2G1BMAPT
Fenclofenac SCHEMBL30509659 0.82 CHRM1 (1.00) CHRM1CXCL8CAMK2APLA2G1BMAPT
Fenclofenac SCHEMBL29438086 0.82 CHRM1 (1.00) CHRM1CXCL8CAMK2APLA2G1BMAPT
Fenclofenac SCHEMBL28279765 0.82 CHRM1 (1.00) CHRM1CXCL8CAMK2APLA2G1BMAPT
Fenclofenac SCHEMBL9692633 0.81 CHRM1 (0.97) CHRM1CXCL8CAMK2APLA2G1BMAPT

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