SCHEMBL11089616

SCHEMBL11089616

CCOC(=O)Cc1cccc(Oc2cccc(Cl)c2Cl)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CXCL8 P10145 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 3/20 0.36
TLR8 Q9NR97 1/20 0.36
MGLL Q99685 1/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ITGA4 P13612 1/20 0.36
S1PR1 P21453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL11089521 0.92 CXCL8 (0.47) ALDH1A1CXCL8NLRP3MEN1KMT2A
SCHEMBL11093624 0.86 CHRM1 (0.50) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL11092358 0.85 ALDH1A1 (0.49) ALDH1A1NLRP3MEN1KMT2AHTT
SCHEMBL11090150 0.85 HPGD (0.45) ALDH1A1NLRP3MEN1KMT2AHTT
SCHEMBL11090351 0.84 CXCL8 (0.55) CXCL8MEN1KMT2AHPGDTLR8
SCHEMBL11095644 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL11096606 0.84 CYP3A4 (0.44) ALDH1A1MEN1KMT2AHTTTLR8
SCHEMBL11093774 0.83 EPAS1 (0.39) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL11095039 0.83 CXCL8 (0.47) ALDH1A1CXCL8NLRP3KMT2AHPGD
SCHEMBL11089795 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHTTHPGD

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