SCHEMBL8986923

SCHEMBL8986923

CCP(=O)(O)C(C)COc1ccc(CC(C)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR5 Q9H228 2/20 0.43
S1PR2 O95136 1/20 0.43
S1PR3 Q99500 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL8986924 0.81 SLC6A4 (0.47) SLC6A4TAAR1SLC6A2
SCHEMBL8636517 0.80 SLC6A4 (0.50) SLC6A4TAAR1SLC6A2
SCHEMBL8727070 0.78 PTPN1 (0.55) SLC6A4TAAR1SLC6A2
SCHEMBL8727063 0.78 PTPN1 (0.55) SLC6A4TAAR1SLC6A2
SCHEMBL8986920 0.78 SLC6A4 (0.47) SLC6A4TAAR1SLC6A2
SCHEMBL31545989 0.76 SLC6A4 (0.59) SLC6A4TAAR1SLC6A2
SCHEMBL3123300 0.74 SLC6A4 (0.58) SLC6A4TAAR1SLC6A2
SCHEMBL21807707 0.74 SLC6A4 (0.58) SLC6A4TAAR1SLC6A2
SCHEMBL2553015 0.73 SLC6A4 (0.66) SLC6A4TAAR1SLC6A2
SCHEMBL2553013 0.73 SLC6A4 (0.66) SLC6A4TAAR1SLC6A2

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
EP-0717746-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-06-26 EP disclosed
WO-1995007284-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-03-16 WO disclosed