SCHEMBL6505996

SCHEMBL6505996

CCCCOC(=O)NC(C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
EPHX1 P07099 1/20 0.47
BIRC2 Q13490 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 7/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP1 P29466 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL7374974 0.89 TSHR (0.43) TSHREPHX1BIRC2NPC1RAB9A
SCHEMBL31440730 0.87 EPHX1 (0.46) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7771457 0.87 EPHX1 (0.46) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL27495595 0.87 SMN1; SMN2 (0.48) TSHREPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL7368739 0.86 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL476725 0.85 EPHX1 (0.47) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL459574 0.85 EPHX1 (0.47) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL459573 0.85 EPHX1 (0.47) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8215965 0.84 ALDH1A1 (0.50) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11638915 0.84 EPHX1 (0.46) EPHX1NPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497323-C New heterocyclic oxime compounds, preparing process and medical composition thereof SERVIER LAB (FR) 2009-06-10 CN disclosed
CN-1590379-A New heterocyclic oxime compounds, preparing process and medical composition thereof SERVIER LAB (FR) 2005-03-09 CN disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed