SCHEMBL20157023

SCHEMBL20157023

C=C(C)c1ccc(C)c(C(=C)N(CCC)CCC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
HPGD P15428 2/20 0.33
MLYCD O95822 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
SORT1 Q99523 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL30969109 0.77 SORT1 (0.37) ALDH1A1SORT1HDAC1HDAC8HDAC6
SCHEMBL1553967 0.77 SORT1 (0.37) ALDH1A1SORT1HDAC1HDAC8HDAC6
SCHEMBL20157110 0.76 HPGD (0.36) TP53HPGDMLYCDALDH1A1LMNA
SCHEMBL20157264 0.75 TP53 (0.38) TP53HPGDMLYCDALDH1A1LMNA
SCHEMBL20157077 0.73 TP53 (0.37) TP53HPGDMLYCDALDH1A1LMNA
SCHEMBL20156934 0.72 HPGD (0.40) TP53HPGDMLYCDALDH1A1LMNA
SCHEMBL8282807 0.72 MLYCD (0.39) TP53HPGDMLYCDALDH1A1LMNA
SCHEMBL18767254 0.70 HPGD (0.51) TP53HPGDMLYCDALDH1A1LMNA
SCHEMBL29829214 0.69 SORT1 (0.42) HPGDALDH1A1LMNAKDM4ESORT1
SCHEMBL1363337 0.68 PRSS1 (0.52) TP53HPGDALDH1A1LMNAHTT

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed