SCHEMBL15380796

SCHEMBL15380796

Oc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(O)cc5)s4)s3)s2)cc1

nearest known ligand 0.94

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.94
ESR1 P03372 4/20 0.94
ESR2 Q92731 4/20 0.94
HSD17B1 P14061 8/20 0.68
HSD17B2 P37059 8/20 0.68
SNCA P37840 1/20 0.52

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
SCHEMBL4778599 1.00 APP (0.94) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL1181642 0.97 APP (1.00) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL15384801 0.89 APP (0.74) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL13335779 0.87 APP (0.81) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL12973224 0.85 APP (0.77) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL12973258 0.85 APP (1.00) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL27937503 0.83 APP (0.65) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL1180468 0.82 HSD17B1 (1.00) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL14156943 0.82 MEN1 (0.68) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL14729649 0.80 APP (0.70) APPESR1ESR2HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9716229-B2 Polymer networks UNIVERSITY OF HULL (GB) 2017-07-25 US disclosed
EP-2665795-B1 POLYMER NETWORKS UNIV HULL (GB) 2016-05-25 EP disclosed
EP-2665795-B1 POLYMER NETWORKS UNIV HULL (GB) 2016-05-25 EP disclosed
US-20130299805-A1 POLYMER NETWORKS UNIVERSITY OF HULL (GB) 2013-11-14 US disclosed
US-20130299805-A1 POLYMER NETWORKS UNIVERSITY OF HULL (GB) 2013-11-14 US disclosed