SCHEMBL11095644

SCHEMBL11095644

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.40
HTR2A P28223 3/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PPARA Q07869 2/20 0.39
TLR8 Q9NR97 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL11093774 0.90 EPAS1 (0.39) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL11089795 0.90 ALDH1A1 (0.43) ALDH1A1SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL11089190 0.89 EPAS1 (0.48) ALDH1A1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL11096606 0.88 CYP3A4 (0.44) ALDH1A1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL11093624 0.86 CHRM1 (0.50) ALDH1A1GAASLC6A4SLC6A2SLC6A3
SCHEMBL11090842 0.85 KMT2A (0.43) ALDH1A1HTR2ASLC6A4MAPTLMNA
SCHEMBL11089521 0.85 CXCL8 (0.47) ALDH1A1SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL11089397 0.84 CHRM1 (0.46) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL11089616 0.84 ALDH1A1 (0.40) ALDH1A1TLR8MAPTLMNAHPGD
SCHEMBL1146416 0.83 HTR2A (0.54) HTR2ASLC6A4SLC6A2SLC6A3PPARA

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