SCHEMBL13660253

SCHEMBL13660253

CCCCOC(C)C(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PTPN11 Q06124 2/20 0.42
PLA2G4B P0C869 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLK1 P53350 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RARB P10826 4/20 0.40
RARA P10276 1/20 0.40

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
SCHEMBL14139388 0.86 MAPK1 (0.47) ALDH1A1CDC25ACDC25BHSD17B10RARB
SCHEMBL4423129 0.85 ALDH1A1 (0.40) ALDH1A1TSHRCDC25ACDC25BHSD17B10
SCHEMBL28385696 0.80 PGR (0.47) TP53TSHRPLA2G4BMEN1KMT2A
SCHEMBL4400571 0.79 KDM4E (0.56) TSHR
SCHEMBL4138134 0.78 MEN1 (0.60) ALDH1A1TSHRMEN1KMT2A
SCHEMBL14199595 0.77 ALDH1A1 (0.36) ALDH1A1CDC25ACDC25BHSD17B10
SCHEMBL16221406 0.76 KMT2A (0.55) PLA2G4BMEN1KMT2A
SCHEMBL28553588 0.75 GAA (0.55) PLA2G4BMEN1KMT2A
Dodecane SCHEMBL7587924 0.75 TP53 (0.57) TP53TSHRPTPN11PLA2G4BRARB
Tridecane SCHEMBL27836215 0.75 TP53 (0.57) TP53TSHRPTPN11PLA2G4BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2107422-B1 Method for preparing lithographic printing plate FUJIFILM CORP (JP) 2016-03-30 EP disclosed
EP-2107422-A1 Method for preparing lithographic printing plate FUJIFILM Corporation (JP) 2009-10-07 EP disclosed