SCHEMBL20025847

SCHEMBL20025847

C=CC(CCC)c1c(CCCC)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20025904 0.83 KDM4E (0.39) GAATDP1L3MBTL1THRATHRB
SCHEMBL18242819 0.76 GAA (0.41) GAATDP1L3MBTL1TLR8NCEH1
SCHEMBL5160817 0.75 GAA (0.50) GAATDP1L3MBTL1TLR8NCEH1
SCHEMBL20025900 0.72 KDM4E (0.37) GAATDP1L3MBTL1CYP2D6CYP2C9
SCHEMBL8715047 0.71 GAA (0.43) GAATDP1L3MBTL1TLR8NCEH1
SCHEMBL20025903 0.71 NCEH1 (0.42) GAATDP1L3MBTL1TLR8NCEH1
SCHEMBL8712775 0.71 GAA (0.46) GAATDP1L3MBTL1TLR8THRA
SCHEMBL9572167 0.70 THRA (0.46) GAATDP1L3MBTL1TLR8THRA
SCHEMBL8712813 0.70 THRA (0.46) GAATDP1L3MBTL1TLR8THRA
SCHEMBL29497339 0.70 THRA (0.46) GAATDP1L3MBTL1TLR8THRA

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-20180094088-A1 Sterically Hindered Metallocenes, Synthesis and Use EXXONMOBIL CHEMICAL PATENTS INC. 2018-04-05 US disclosed