SCHEMBL11090841

SCHEMBL11090841

CCOC(=O)c1cccc(Oc2ccccc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 7/20 0.46
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CDC25B P30305 1/20 0.40
▸ METTL3 Q86U44 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
SCHEMBL17707781 0.86 TSHR (0.53) HPGDTSHRMAPTPOLBMEN1
SCHEMBL11092742 0.83 HPGD (0.56) HPGDTSHRMEN1MAPK1KMT2A
SCHEMBL23294948 0.82 TSHR (0.51) TSHRMAPTPOLBMEN1MAPK1
SCHEMBL29588719 0.82 TSHR (0.51) TSHRMAPTPOLBMEN1MAPK1
SCHEMBL11089521 0.81 CXCL8 (0.47) HPGDMAPTMEN1MAPK1KMT2A
SCHEMBL6656676 0.77 MEN1 (0.68) HPGDTSHRMAPTPOLBMEN1
SCHEMBL18285205 0.77 TSHR (0.56) HPGDTSHRMAPTPOLBMEN1
SCHEMBL3789796 0.76 ALDH1A1 (0.64) HPGDTSHRMAPTPOLBMEN1
SCHEMBL3405509 0.76 ALDH1A1 (0.46) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL17707783 0.76 ALDH1A1 (0.55) HPGDTSHRMAPTPOLBMEN1

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
Send feedback