SCHEMBL7786033

SCHEMBL7786033

CC=C(C(=O)OC)c1ccccc1COc1cccc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.39
HTR7 P34969 1/20 0.39
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7784787 0.92 HIF1A (0.39) HIF1AHTR7MAPK1KMT2AMAPK8
SCHEMBL7784791 0.92 HIF1A (0.39) HIF1AHTR7MAPK1KMT2AMAPK8
SCHEMBL7786032 0.91 HIF1A (0.38) HIF1AHTR7MAPK1KMT2AMAPK8
SCHEMBL7786037 0.91 HIF1A (0.38) HIF1AHTR7MAPK1KMT2AMAPK8
SCHEMBL7786328 0.86 HIF1A (0.40) HIF1AKMT2AALDH1A1
SCHEMBL5369743 0.83 HIF1A (0.41) HIF1A
SCHEMBL7783632 0.83 HIF1A (0.41) HIF1A
SCHEMBL8171322 0.83 MAPK1 (0.42) HIF1AMAPK1KMT2AALDH1A1
SCHEMBL20636585 0.83 HTR7 (0.38) HIF1AHTR7MAPK1KMT2AALDH1A1
SCHEMBL1262614 0.81 PDE10A (0.38) HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840726-B1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE SYNGENTA LTD (GB) 2001-10-10 EP disclosed
US-6015905-A REACTING OXY-METAL DERIVATIVE OF A DISUBSTITUTED PYRIDINE WITH METHYL ESTER OF PHENYLACETIC ACID(WHICH ALSO HAS ALKYL SUBSTITUENT ON RING) YIELDS INTERMEDIATE FOR PREPARATION OF AGRICULTURAL FUNGICIDES ZENECA LIMITED 2000-01-18 US disclosed
EP-0840726-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE ZENECA LIMITED (GB) 1998-05-13 EP disclosed
WO-1997001538-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE ZENECA LIMITED (GB) 1997-01-16 WO disclosed