SCHEMBL11095039

SCHEMBL11095039

CCOC(=O)Cc1cccc(Oc2ccccc2F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.47
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSPB1 P04792 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
ITGA4 P13612 1/20 0.39
S1PR1 P21453 1/20 0.39
RAB9A P51151 1/20 0.39
TLR9 Q9NR96 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.38
PKM P14618 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL11090150 0.88 HPGD (0.45) MAPTSMN1; SMN2NPSR1MAPK1HPGD
SCHEMBL4296586 0.86 NLRP3 (0.47) MAPTSMN1; SMN2L3MBTL1NPSR1MAPK1
SCHEMBL11089521 0.86 CXCL8 (0.47) CXCL8MAPTSMN1; SMN2L3MBTL1NPSR1
SCHEMBL11089795 0.86 ALDH1A1 (0.43) MAPTSMN1; SMN2NPSR1MAPK1HPGD
SCHEMBL11089527 0.85 CXCL8 (0.46) CXCL8MAPTSMN1; SMN2HSPB1L3MBTL1
SCHEMBL11092290 0.84 CXCL8 (0.68) CXCL8MAPTSMN1; SMN2HSPB1L3MBTL1
SCHEMBL11155097 0.83 CXCL8 (0.51) CXCL8MAPTSMN1; SMN2HSPB1L3MBTL1
SCHEMBL11089616 0.83 ALDH1A1 (0.40) CXCL8MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL11092614 0.81 CXCL8 (0.51) CXCL8L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL11095644 0.81 ALDH1A1 (0.41) MAPTSMN1; SMN2HPGDALDH1A1LMNA

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