SCHEMBL6207422

SCHEMBL6207422

CCC(Br)OC(=O)COC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL9490792 0.79
SCHEMBL28873239 0.76 ALDH1A1 (0.48) ESR1HIF1A
SCHEMBL29195952 0.76 ALDH1A1 (0.48) ESR1HIF1A
SCHEMBL19821869 0.76 EPHX2 (0.34)
SCHEMBL6636355 0.74
SCHEMBL28002462 0.74 MGAM (0.46) ESR1HIF1A
SCHEMBL13010530 0.72 KLK7 (0.32)
SCHEMBL3405450 0.72
SCHEMBL271918 0.72
SCHEMBL9425579 0.72

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
EP-1478356-A4 THERAPEUTIC COMPOUNDS HARVARD COLLEGE (US) 2005-03-16 EP disclosed
EP-1478356-A2 THERAPEUTIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-11-24 EP disclosed
WO-2003066004-A2 THERAPEUTIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-08-14 WO disclosed