SCHEMBL1104253

SCHEMBL1104253

CCC(C)(C)C(=O)OCCOC(=O)CCOC(=O)c1ccccc1C(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
TSHR P16473 7/20 0.40
TDP1 Q9NUW8 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1104236 0.93 ALDH1A1 (0.46) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1104258 0.79 ADRB2 (0.39) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1104216 0.77 ALDH1A1 (0.34) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL751954 0.76 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1104227 0.76 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL14483832 0.76 TDP1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL12126325 0.73 ALDH1A1 (0.46) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL12126276 0.73 ALDH1A1 (0.46) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL12126321 0.72 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL17848824 0.72 ALDH1A1 (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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