SCHEMBL14384136

SCHEMBL14384136

CC(=O)OCc1cc(C)c(N)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 2/20 0.44
IDH1 O75874 1/20 0.40
S1PR4 O95977 1/20 0.40
CA2 P00918 1/20 0.39
HSD17B10 Q99714 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33

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
SCHEMBL26781740 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4IDH1S1PR4CA2
SCHEMBL13057612 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4IDH1S1PR4CA2
SCHEMBL5666942 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4IDH1CA2HSD17B10
SCHEMBL27672889 0.80 CYP3A4 (0.51) ALDH1A1CYP3A4IDH1S1PR4CA2
SCHEMBL13586898 0.80 ALDH1A1 (0.53) ALDH1A1CYP3A4IDH1S1PR4CA2
SCHEMBL25161986 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4IDH1S1PR4CA2
SCHEMBL5971176 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4IDH1HSD17B10LMNA
SCHEMBL9686081 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4IDH1HSD17B10LMNA
SCHEMBL13034135 0.77 CYP3A4 (0.56) ALDH1A1CYP3A4IDH1S1PR4CA2
SCHEMBL6589797 0.77 MEN1 (0.52) ALDH1A1CYP3A4CA2HSD17B10LMNA

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
EP-1362053-B1 TERMINALLY-BRANCHED POLYMERIC LINKERS AND POLYMERIC CONJUGATES CONTAINING THE SAME ENZON INC (US) 2007-11-14 EP disclosed