SCHEMBL4537172

SCHEMBL4537172

O=C(NCC1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.55
EPHX2 P34913 3/20 0.49
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
MEN1 O00255 1/20 0.44
EPHX1 P07099 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 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
SCHEMBL4542474 0.95 USP30 (0.58) USP30EPHX2NPC1SMN1; SMN2L3MBTL1
SCHEMBL4543058 0.89 USP30 (0.55) USP30EPHX2SMN1; SMN2LMNAKMT2A
SCHEMBL4537571 0.88 NPC1 (0.52) USP30EPHX2NPC1SMN1; SMN2L3MBTL1
SCHEMBL4531270 0.87 EPHX2 (0.68) EPHX2
SCHEMBL4541042 0.83 FAAH (0.53) USP30EPHX2NPC1SMN1; SMN2L3MBTL1
SCHEMBL4538182 0.83 USP30 (0.47) USP30NPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4542312 0.82 EPHX2 (0.61) USP30EPHX2
SCHEMBL4537166 0.81 USP30 (0.50) USP30EPHX2NPC1SMN1; SMN2L3MBTL1
SCHEMBL4537568 0.80 P2RX7 (0.50) USP30EPHX2NPC1SMN1; SMN2L3MBTL1
SCHEMBL4541187 0.80 KDM4E (0.50) USP30NPC1SMN1; SMN2LMNAKMT2A

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