SCHEMBL7417094

SCHEMBL7417094

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
EPHX2 P34913 3/20 0.43
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ALDH1A1 P00352 5/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PPID Q08752 1/20 0.37
EPHX1 P07099 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
SCHEMBL7964763 0.83 GAA (0.46) GAAEPHX2MGAMSIMGAM2
SCHEMBL2482646 0.78 GAA (0.59) GAAEPHX2MGAMSIMGAM2
Hydrochloric Acid SCHEMBL27762950 0.77 GAA (0.57) GAAEPHX2MGAMSIMGAM2
SCHEMBL7425848 0.75 EPHX1 (0.57) GAAEPHX2MGAMSIMGAM2
SCHEMBL12166449 0.74 EPHX2 (0.44) GAAEPHX2MGAMSIMGAM2
SCHEMBL9404556 0.73 GAA (0.57) GAAEPHX2MGAMSIMGAM2
SCHEMBL2183329 0.72 GAA (0.52) GAAEPHX2MGAMSIMGAM2
SCHEMBL3488684 0.71 GAA (0.55) GAAEPHX2MGAMSIMGAM2
SCHEMBL15653541 0.71 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7324398 0.70 KDM4E (0.54) 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
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