SCHEMBL2562283

SCHEMBL2562283

COc1cccc(Oc2ccc(Br)cc2CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
SLC1A5 Q15758 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
MTNR1B P49286 1/20 0.43
MAOB P27338 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL14097991 0.91 HSD17B10 (0.57) HSD17B10KDM4EPOLBPTGDR2MEN1
SCHEMBL2562353 0.88 KDM4E (0.52) HSD17B10KDM4EPOLBLMNATP53
SCHEMBL2562856 0.88 HSD17B10 (0.61) HSD17B10KDM4EPOLBLMNAPTGDR2
SCHEMBL9152146 0.83 SLC1A5 (0.57) HSD17B10KDM4EPOLBLMNAPTGDR2
SCHEMBL9148385 0.82 SLC1A5 (0.56) HSD17B10KDM4EPOLBLMNAPTGDR2
SCHEMBL2560429 0.82 HSD17B10 (0.51) HSD17B10PTGDR2CAMK2A
SCHEMBL154368 0.81 HSD17B10 (0.68) HSD17B10KDM4EPOLBPTGDR2MEN1
SCHEMBL2561912 0.81 KDM4E (0.49) HSD17B10KDM4EPTGDR2MEN1ALDH1A1
SCHEMBL5107368 0.80 HSD17B10 (0.54) HSD17B10KDM4EPOLBPTGDR2MEN1
SCHEMBL6947536 0.80 SLC6A4 (0.59) KDM4EPOLBALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed