SCHEMBL4620970

SCHEMBL4620970

O=C(O)C(CO)NCCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.45
EPHX1 P07099 1/20 0.44
NMT1 P30419 6/20 0.40
NMT2 O60551 5/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35

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
SCHEMBL4621576 1.00 BCHE (0.45) BCHEEPHX1NMT1NMT2HPGD
SCHEMBL10431763 0.85 BCHE (0.44) BCHEEPHX1NMT1NMT2HPGD
SCHEMBL4620172 0.82 CYP2D6 (0.43) EPHX1HPGDKMT2AGRNSORT1
SCHEMBL3102110 0.82 CYP2D6 (0.43) EPHX1HPGDKMT2AGRNSORT1
SCHEMBL4621301 0.82 CYP2D6 (0.43) EPHX1HPGDKMT2AGRNSORT1
SCHEMBL4621464 0.77 BCHE (0.46) BCHEEPHX1HPGDMEN1KMT2A
SCHEMBL4620611 0.77 BCHE (0.46) BCHEEPHX1HPGDMEN1KMT2A
SCHEMBL4623637 0.77 BCHE (0.46) BCHEEPHX1HPGDMEN1KMT2A
SCHEMBL10660233 0.77 HPGD (0.51) NMT1NMT2HPGDMEN1KMT2A
SCHEMBL9718272 0.76 CTSS (0.47) BCHEEPHX1NMT1NMT2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed