SCHEMBL17521998

SCHEMBL17521998

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc4c3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
GLO1 Q04760 1/20 0.37
CCR1 P32246 4/20 0.37
CCR8 P51685 4/20 0.37
CCR5 P51681 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP8 P22894 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL17522012 0.99 KIF11 (0.38) TRPV1GLO1CCR1CCR8CCR5
SCHEMBL17522006 0.88 CCR1 (0.43) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL17521997 0.88 KIF11 (0.44) TRPV1GLO1CCR1CCR8CCR5
SCHEMBL17491085 0.87 CCR1 (0.38) TRPV1GLO1CCR1CCR8CCR5
SCHEMBL17491084 0.87 CYP2C9 (0.37) TRPV1GLO1CCR1CCR8CCR5
SCHEMBL17522001 0.87 CCR1 (0.42) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL11992323 0.86 CCR1 (0.44) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL17521996 0.86 KIF11 (0.39) TRPV1GLO1CCR1CCR8CCR5
SCHEMBL1103150 0.85 ALDH1A1 (0.39) TRPV1GLO1CCR1CCR8KDM4E
SCHEMBL13046168 0.84 CYP17A1 (0.43) CCR1CCR8CCR5KDM4ELMNA

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