SCHEMBL14048840

SCHEMBL14048840

C=C(C)C(=O)OCCOC(=O)NCC1CCCC(CNC(C)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
EPHX1 P07099 1/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CACNA1H O95180 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
NAAA Q02083 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ACHE P22303 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
SCHEMBL21671197 0.96 THRB (0.41) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL8738483 0.96 THRB (0.41) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL8738995 0.92 TSHR (0.41) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL18123481 0.92 THRB (0.45) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL18123480 0.92 TSHR (0.44) THRBEPHX1TSHRNAAAACHE
SCHEMBL18123478 0.91 TSHR (0.45) THRBEPHX1TSHRNAAAACHE
SCHEMBL8738965 0.91 TSHR (0.42) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL8738485 0.89 TSHR (0.36) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL20034149 0.88 THRB (0.35) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL21667370 0.86 TSHR (0.41) THRBEPHX1TSHRNAAAACHE

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-1975708-A2 Lithographic printing plate precursor FUJIFILM Corporation (JP) 2008-10-01 EP disclosed