SCHEMBL7425848

SCHEMBL7425848

CCOC(=O)CNC(=O)O[C@H]1CCC[C@@H](OC(=O)NCC(=O)OCC)CCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.57
GAA P10253 3/20 0.45
EPHX2 P34913 2/20 0.44
KMT2A Q03164 2/20 0.43
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NAAA Q02083 2/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
PPID Q08752 1/20 0.38

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
SCHEMBL12891793 0.81 EPHX1 (0.51) EPHX1GAAEPHX2ALDH1A1NAAA
SCHEMBL8158699 0.81 EPHX1 (0.62) EPHX1GAAEPHX2ALDH1A1SMN1; SMN2
SCHEMBL22699875 0.79 EPHX1 (0.66) EPHX1EPHX2KMT2AALDH1A1SMN1; SMN2
SCHEMBL12635064 0.78 EPHX1 (0.55) EPHX1GAAEPHX2ALDH1A1NAAA
SCHEMBL12166449 0.78 EPHX2 (0.44) EPHX1GAAEPHX2KMT2AMGAM
SCHEMBL15777906 0.78 EPHX1 (0.89) EPHX1GAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL3488684 0.76 GAA (0.55) GAAEPHX2KMT2AMGAMSI
SCHEMBL2482646 0.76 GAA (0.59) GAAEPHX2MGAMSIMGAM2
SCHEMBL7417094 0.75 GAA (0.44) EPHX1GAAEPHX2KMT2AMGAM
SCHEMBL27436864 0.75 MGAM (0.58) EPHX1GAAKMT2AMGAMSI

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-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO disclosed