SCHEMBL5318930

SCHEMBL5318930

O=C(O)CC1CCC(CC(=O)O)CCC(NC(=O)NCc2ccccc2)CCC(CC(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.69
HPGD P15428 2/20 0.69
DRD4 P21917 1/20 0.61
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EPHX2 P34913 2/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
DRD3 P35462 1/20 0.49
GAA P10253 1/20 0.49
MCHR1 Q99705 1/20 0.48

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
SCHEMBL20911011 0.89 EPHX1 (0.84) EPHX1HPGDDRD4RAB9ANPC1
SCHEMBL23349229 0.88 EPHX1 (0.73) EPHX1HPGDDRD4RAB9ANPC1
SCHEMBL24011160 0.88 EPHX1 (0.69) EPHX1HPGDDRD4RAB9ANPC1
SCHEMBL5028143 0.86 EPHX1 (0.69) EPHX1HPGDDRD4RAB9ANPC1
SCHEMBL5028140 0.86 EPHX1 (0.69) EPHX1HPGDDRD4RAB9ANPC1
SCHEMBL2752603 0.83 EPHX1 (0.97) EPHX1HPGDDRD4RAB9ANPC1
SCHEMBL6436349 0.82 EPHX1 (1.00) EPHX1HPGDDRD4RAB9ANPC1
SCHEMBL6622416 0.79 EPHX1 (0.73) EPHX1HPGDDRD4RAB9ANPC1
SCHEMBL5519616 0.79 CXCR4 (0.58) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL5519607 0.79 CXCR4 (0.58) HPGDRAB9ANPC1ALDH1A1KMT2A

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
WO-2007131286-A1 NANOSTRUCTURES SUITABLE FOR DELIVERY OF AGENTS APOLLO LIFE SCIENCES LIMITED (AU) 2007-11-22 WO disclosed