SCHEMBL6662363

SCHEMBL6662363

C=C(C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.50
CES1 P23141 2/20 0.50
DAGLA Q9Y4D2 1/20 0.50
XDH P47989 6/20 0.49
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 1/20 0.44
GLO1 Q04760 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
SCD O00767 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL23207495 0.87 XDH (0.50) FAAHCES1DAGLAXDHKDM4E
SCHEMBL1590095 0.82 FAAH (0.55) FAAHCES1DAGLAXDHKDM4E
SCHEMBL17951858 0.81 FAAH (0.54) FAAHCES1DAGLAXDHKDM4E
SCHEMBL6630546 0.80 FAAH (0.50) FAAHCES1DAGLAXDHKDM4E
Hydrochloric Acid SCHEMBL23320558 0.80 FAAH (0.54) FAAHCES1DAGLAXDHKDM4E
SCHEMBL3612583 0.80 FAAH (0.54) FAAHCES1DAGLAXDHKDM4E
SCHEMBL3277882 0.80 XDH (0.50) FAAHCES1DAGLAXDHKDM4E
SCHEMBL5355510 0.78 FAAH (0.51) FAAHCES1DAGLAXDHKDM4E
SCHEMBL12545534 0.77 XDH (0.50) FAAHCES1DAGLAXDHKDM4E
SCHEMBL27909818 0.77 SCD (0.57) FAAHCES1DAGLAXDHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349051-B Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2022-11-08 CN claimed
CN-111349051-A Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2020-06-30 CN claimed
EP-1430042-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SmithKline Beecham Corporation (US) 2004-06-23 EP claimed
WO-2003027090-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO claimed
CN-111349051-B Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2022-11-08 CN disclosed
CN-111349051-B Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2022-11-08 CN disclosed
CN-111349051-B Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2022-11-08 CN disclosed
CN-111349051-A Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2020-06-30 CN disclosed
CN-111349051-A Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2020-06-30 CN disclosed
CN-111349051-A Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2020-06-30 CN disclosed