SCHEMBL7964763

SCHEMBL7964763

CCOC(=O)CNC(=O)OC[C@H]1CC[C@H](COC(=O)NCC(=O)OCC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
EPHX2 P34913 2/20 0.46
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPID Q08752 2/20 0.39
MAPT P10636 1/20 0.38
NLRP3 Q96P20 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
PPIB P23284 1/20 0.37

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
SCHEMBL7417094 0.83 GAA (0.44) GAAEPHX2MGAMSIMGAM2
SCHEMBL2482646 0.81 GAA (0.59) GAAEPHX2MGAMSIMGAM2
SCHEMBL13367965 0.80 EPHX1 (0.48) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL27762950 0.79 GAA (0.57) GAAEPHX2MGAMSIMGAM2
SCHEMBL206033 0.78 PTGIR (0.45) ALDH1A1
SCHEMBL12223164 0.77 MEN1 (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL13967719 0.76 EPHX1 (0.42) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL9404556 0.75 GAA (0.57) GAAEPHX2MGAMSIMGAM2
SCHEMBL8250958 0.75 PTGIR (0.37) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL7425848 0.75 EPHX1 (0.57) GAAEPHX2MGAMSIMGAM2

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-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