SCHEMBL17049469

SCHEMBL17049469

C[C@H](CO)NC(=O)c1cccc(CCCCCC(=O)N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
HPGD P15428 1/20 0.42
ALOX5 P09917 1/20 0.41
ATM Q13315 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 1/20 0.39
PTAFR P25105 1/20 0.39

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
SCHEMBL2763050 1.00 CYP4F2 (0.43) CYP4F2CYP4A11HPGDALOX5ATM
SCHEMBL17049467 1.00 CYP4F2 (0.43) CYP4F2CYP4A11HPGDALOX5ATM
SCHEMBL13323527 0.99 CYP4F2 (0.44) CYP4F2CYP4A11HPGDALOX5ATM
SCHEMBL2632342 0.95 HPGD (0.44) CYP4F2CYP4A11HPGDATMMEN1
SCHEMBL13324058 0.91 HPGD (0.46) CYP4F2CYP4A11HPGDATMMEN1
SCHEMBL16800028 0.86 GPR132 (0.45) CYP4F2CYP4A11HPGDALOX5SPHK2
SCHEMBL16800041 0.86 GPR132 (0.45) CYP4F2CYP4A11HPGDALOX5SPHK2
SCHEMBL16800026 0.86 GPR132 (0.45) CYP4F2CYP4A11HPGDALOX5SPHK2
SCHEMBL20810595 0.86 ALOX5 (0.41) CYP4F2CYP4A11HPGDALOX5SPHK2
SCHEMBL16802471 0.86 GPR132 (0.45) CYP4F2CYP4A11HPGDALOX5SPHK2

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
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed