SCHEMBL5222877

SCHEMBL5222877

CC=Cc1cc(C(=O)OC)c(F)c(N2CCCC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTGS2 P35354 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
STAT6 P42226 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
BDKRB1 P46663 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
SCHEMBL5222872 1.00 HSD17B10 (0.36) HSD17B10HPGDLMNATSHRMAPT
SCHEMBL5222867 1.00 HSD17B10 (0.36) HSD17B10HPGDLMNATSHRMAPT
SCHEMBL5851474 0.83 SMN1; SMN2 (0.42) HSD17B10HPGDLMNATSHRMAPT
SCHEMBL5219064 0.83 HSD17B10 (0.42) HSD17B10HPGDLMNATSHRMAPT
SCHEMBL5216170 0.82 HSD17B10 (0.41) HSD17B10HPGDLMNATSHRMAPT
SCHEMBL5853141 0.80 CFTR (0.41) HSD17B10HPGDLMNATSHRMAPT
SCHEMBL5216498 0.78 BACE1 (0.47) HSD17B10HPGDLMNATSHRMAPT
SCHEMBL5223450 0.78 ALDH1A1 (0.46) LMNAMAPTPOLBALDH1A1GAA
SCHEMBL5221159 0.78 LMNA (0.39) HSD17B10HPGDLMNATSHRMAPT
SCHEMBL5225688 0.77 KMT2A (0.46) HPGDLMNATSHRMAPTSMN1; SMN2

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed