SCHEMBL19788039

SCHEMBL19788039

COC(C)(CC(=O)OCc1ccccc1)OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
CDC25B P30305 1/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL10243854 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL23142607 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL2847154 0.83 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL13688689 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL6449232 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL7269037 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL4178623 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL111840 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL27928375 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL19718289 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969728-B2 Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-05-15 US disclosed
US-9932342-B2 Imidazopyrimidine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-9873703-B2 Imidazopyridazine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-23 US disclosed