SCHEMBL1104237

SCHEMBL1104237

CCC(C)(C)C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
SERPINE1 P05121 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTPN11 Q06124 2/20 0.36
HTT P42858 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1104031 0.95 KDM4E (0.40) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL18101013 0.91 MEN1 (0.40) TSHRMAPK1ALDH1A1LMNAMEN1
SCHEMBL12126281 0.86 ALDH1A1 (0.38) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL751954 0.83 ALDH1A1 (0.54) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL12126258 0.83 MAPT (0.49) TSHRMAPK1CYP3A4ALDH1A1LMNA
SCHEMBL12261612 0.82 PLA2G2D (0.36) TSHRTP53TDP1PTPN11HTT
SCHEMBL28186309 0.82 ALDH1A1 (0.59) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL12126278 0.82 CSNK2A1 (0.40) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL12997708 0.81 EGFR (0.42) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL12126271 0.81 KMT2A (0.42) TSHRTP53ALDH1A1MEN1KMT2A

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
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed