SCHEMBL17521997

SCHEMBL17521997

CC(C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc4c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
CCR1 P32246 3/20 0.43
CCR5 P51681 3/20 0.43
CCR8 P51685 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL17994292 0.90 CCR1 (0.50) KIF11CCR1CCR5CCR8KDM4E
SCHEMBL17522012 0.89 KIF11 (0.38) KIF11CCR1CCR5CCR8KDM4E
SCHEMBL17521998 0.88 TRPV1 (0.38) KIF11CCR1CCR5CCR8KDM4E
SCHEMBL19763007 0.87 TOP1 (0.43) KIF11CCR1CCR5CCR8KDM4E
SCHEMBL13311148 0.85 CCR1 (0.59) CCR1CCR5CCR8KDM4EGMNN
SCHEMBL17522008 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4EGMNN
SCHEMBL16026716 0.84 KDM4E (0.42) KIF11CCR1CCR5CCR8KDM4E
SCHEMBL17929434 0.83 KIF11 (0.46) KIF11CCR1CCR5CCR8KDM4E
SCHEMBL19762919 0.83 KDM4E (0.48) CCR1CCR5CCR8KDM4EGMNN
SCHEMBL30112535 0.83 CCR1 (0.48) CCR1CCR5CCR8KDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed
US-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed