SCHEMBL16890696

SCHEMBL16890696

CCCCc1ccc(Oc2cccc(Oc3ccc(CCCC)cc3)c2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LTA4H P09960 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
SCHEMBL21858151 0.94 ESR1 (0.46)
SCHEMBL16890457 0.81 CA2 (0.43) CA1CA2
SCHEMBL28062078 0.81 SKP2 (0.39) CA1CA2
SCHEMBL145761 0.80 LTA4H (0.52) CA1CA2LTA4H
SCHEMBL26631493 0.80 CARM1 (0.50)
SCHEMBL6333310 0.80 CYP1A2 (0.46) CA2
SCHEMBL5536164 0.79 LTA4H (0.42) LTA4H
SCHEMBL28411621 0.79 LTA4H (0.42) LTA4H
SCHEMBL29039547 0.77 CARM1 (0.40)
SCHEMBL5614714 0.77 LTA4H (0.66) LTA4H

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
EP-3109253-B1 POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL KWANSEI GAKUIN EDUCATIONAL FOUND (JP) 2018-10-24 EP disclosed
EP-3345911-A1 POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL Kwansei Gakuin Educational Foundation (JP) 2018-07-11 EP disclosed
EP-3345911-A1 POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL Kwansei Gakuin Educational Foundation (JP) 2018-07-11 EP disclosed
EP-3109253-A1 POLYCYCLIC AROMATIC COMPOUND Kwansei Gakuin Educational Foundation (JP) 2016-12-28 EP disclosed
WO-2015102118-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2015-07-09 WO disclosed