SCHEMBL12430271

SCHEMBL12430271

CCC(C)C(=O)OCCOC(=O)CCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
DGKA P23743 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11892835 0.93 TSHR (0.52) TSHRDGKAMAPTKMT2AMEN1
SCHEMBL12532804 0.89 TSHR (0.46) TSHRMAPTKMT2AMEN1LMNA
SCHEMBL2622705 0.85 DGKA (0.41) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL19821799 0.85 TSHR (0.50) TSHRDGKAMAPTLMNAALDH1A1
SCHEMBL10031621 0.85 DGKA (0.41) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL15281548 0.85 DGKA (0.48) TSHRDGKAADRA2AADRA1AMAPT
SCHEMBL25492396 0.82 TSHR (0.72) TSHRDGKAADRA2AADRA1AMAPT
SCHEMBL13667079 0.82 ALDH1A1 (0.37) TSHRDGKALMNAALDH1A1HSD17B10
SCHEMBL23308425 0.81 DGKA (0.41) TSHRDGKAADRA2AADRA1AMAPT
SCHEMBL12392157 0.80 TSHR (0.50) TSHRDGKAADRA2AADRA1AMAPT

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-7977029-B2 Positive photosensitive composition FUJIFILM CORPORATION (JP) 2011-07-12 US disclosed
US-20080318159-A1 POSITIVE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed