SCHEMBL11089795

SCHEMBL11089795

CCOC(=O)Cc1cccc(Oc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.41
APP P05067 1/20 0.41
MAPK1 P28482 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
ITGA4 P13612 1/20 0.40
S1PR1 P21453 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL11095644 0.90 ALDH1A1 (0.41) ALDH1A1TSHRMAPTHPGDSMN1; SMN2
SCHEMBL11090150 0.88 HPGD (0.45) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL11089190 0.88 EPAS1 (0.48) ALDH1A1MAPTSMN1; SMN2NPSR1NPC1
SCHEMBL11090842 0.86 KMT2A (0.43) ALDH1A1MAPTHPGDSMN1; SMN2NPSR1
SCHEMBL11093774 0.86 EPAS1 (0.39) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL11095039 0.86 CXCL8 (0.47) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL11089521 0.86 CXCL8 (0.47) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL11094346 0.84 CAMK2A (0.50) MAPTHPGDPTGDR2
SCHEMBL11096606 0.84 CYP3A4 (0.44) ALDH1A1NPSR1LMNACYP2D6SLC6A2
SCHEMBL28575436 0.83 SLC6A2 (0.49) ALDH1A1TSHRMAPK1MAPTHPGD

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