SCHEMBL8919161

SCHEMBL8919161

O=C(c1ccccc1)N1CC[C@H](O)[C@@H](O)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.62
ACHE P22303 1/20 0.60
EPHX1 P07099 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
GRM5 P41594 1/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MGLL Q99685 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HSD11B1 P28845 1/20 0.50

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
SCHEMBL31360681 0.87 CHRNB2 (0.62) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL8476630 0.85 SLC18A3 (0.58) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL5871923 0.84 ACHE (0.62) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL2720515 0.84 ACHE (0.62) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL12442621 0.84 ACHE (0.62) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL8472183 0.83 SLC18A3 (0.55) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL8475449 0.82 SLC18A3 (0.54) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL8474593 0.82 SLC18A3 (0.54) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL4392851 0.81 ACHE (0.62) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL8477067 0.81 SLC18A3 (0.53) SLC18A3ACHEEPHX1L3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616750-A Compounds and process SMITHKLINE BEECHAM PLC (GB) 1997-04-01 US disclosed
EP-0655950-B1 CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY SMITHKLINE BEECHAM PLC (GB) 1996-10-23 EP disclosed
EP-0655950-A1 CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY. SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
WO-1994003271-A1 CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY SMITHKLINE BEECHAM PLC (GB) 1994-02-17 WO disclosed