SCHEMBL22508798

SCHEMBL22508798

OCC(O)C(O)CCc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.39
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DAO P14920 2/20 0.37
DPP4 P27487 1/20 0.35
GRIN2B Q13224 1/20 0.34
CYP51A1 Q16850 1/20 0.34
KCNH2 Q12809 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL3571123 0.81 STAT3 (0.43) TRPV3HTTALDH1A1MAPTL3MBTL1
SCHEMBL22508787 0.76 TAAR1 (0.43) L3MBTL1MAOB
SCHEMBL22508738 0.75 PNMT (0.48) ALDH1A1MAPTKCNH2
SCHEMBL30986331 0.74 ALDH1A1 (0.52) TRPV3HTTALDH1A1MAPTDAO
SCHEMBL1238835 0.74 ALDH1A1 (0.52) TRPV3HTTALDH1A1MAPTDAO
SCHEMBL16105820 0.73 DAO (0.55) TRPV3HTTALDH1A1DAOMAOA
SCHEMBL12436729 0.73 ALDH1A1 (0.45) TRPV3HTTALDH1A1MAPTL3MBTL1
SCHEMBL8399619 0.71 TDP1 (0.50) ALDH1A1DPP4KCNH2MAOAMAOB
SCHEMBL80635 0.71 HTT (0.46) TRPV3HTTALDH1A1MAPTDAO
SCHEMBL16266018 0.71 TDP1 (0.50) ALDH1A1DPP4KCNH2MAOAMAOB

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-2020206308-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-10-08 WO disclosed