SCHEMBL4538182

SCHEMBL4538182

O=C(NCC1CCCN1C(=O)Nc1ccc(Cl)cc1Cl)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
RAB9A P51151 2/20 0.42
CCR1 P32246 1/20 0.42
LMNA P02545 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFD P00746 1/20 0.41
MEN1 O00255 1/20 0.41
DPP4 P27487 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41

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
SCHEMBL4541187 0.97 KDM4E (0.50) USP30KDM4EGAAHTTKMT2A
SCHEMBL4537298 0.87 EPHX2 (0.49) ALDH1A1HRH3
SCHEMBL4533497 0.84 EPHX2 (0.47) ALDH1A1HRH3
SCHEMBL4543058 0.83 USP30 (0.55) USP30KDM4EHTTKMT2AALDH1A1
SCHEMBL4537172 0.83 USP30 (0.55) USP30HTTKMT2AALDH1A1ATM
SCHEMBL4542474 0.82 USP30 (0.58) USP30KDM4EHTTKMT2AALDH1A1
SCHEMBL4538180 0.80 KMT2A (0.44) USP30KDM4EGAAHTTKMT2A
SCHEMBL4541720 0.78 POLB (0.43) USP30RAB9ANPC1
SCHEMBL4541185 0.77 HTT (0.48) USP30KDM4EGAAHTTKMT2A
SCHEMBL8067456 0.75 KDM4E (0.40) USP30KDM4EGAAHTTKMT2A

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed