SCHEMBL17989458

SCHEMBL17989458

CC1(C)c2c(ccc3ccccc23)-c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.33
SIRT1 Q96EB6 3/20 0.33
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 8/20 0.33
HPGD P15428 6/20 0.33
MAPT P10636 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
GLA P06280 4/20 0.33
HSD17B10 Q99714 2/20 0.33
PTGER4 P35408 1/20 0.33
MAOB P27338 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 4/20 0.31

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
SCHEMBL17989448 0.88 SIRT2 (0.31) SIRT2SIRT1PTGER4
SCHEMBL19382799 0.88 TUBB4A (0.33) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL17989449 0.88 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL15462314 0.86 PTGER4 (0.33) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL17988931 0.86 TUBB4A (0.33) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL16940894 0.84 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL18488977 0.82 MAPT (0.35) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL17989437 0.82 IDO1 (0.32) PTGER4
SCHEMBL17988879 0.82 KDM4E (0.44) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL18058184 0.81 NCOA1 (0.34) MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed