SCHEMBL8584976

SCHEMBL8584976

CO/C=C(/C(=O)OC)c1ccccc1Oc1ccnc(Oc2c(F)cccc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.44
PYGL P06737 2/20 0.39
PYGM P11217 2/20 0.39
KDM4E B2RXH2 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL29358789 0.87 GCK (0.36) GCKKDM4EKDRNPC1
SCHEMBL203206 0.87 GCK (0.36) GCKKDM4EKDRNPC1
SCHEMBL29356745 0.85 MAPK8 (0.43) GCKMAPK8RAB9A
SCHEMBL202888 0.85 MAPK8 (0.43) GCKMAPK8RAB9A
SCHEMBL7062547 0.85 MAPK8 (0.43) GCKMAPK8RAB9A
SCHEMBL29358726 0.84 KDM4E (0.43) GCKKDM4ENPC1RAB9A
SCHEMBL204353 0.84 KDM4E (0.43) GCKKDM4ENPC1RAB9A
SCHEMBL7691496 0.82 MAPK14 (0.39) GCKNPC1RAB9A
SCHEMBL9150084 0.81 TLR4 (0.40) KDM4EMAPK8NPC1RAB9A
SCHEMBL9150081 0.81 TLR4 (0.40) KDM4EMAPK8NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990043-A COMPRISES AT LEAST ONE INSECTICIDE SELECTED FROM TRIFLUMURON, FLUFENOXURON, FLUCYCLOXURON, HEXAFLUMURON, AND OTHERS; A CARRIER AND BINDER; PROTECTS ITEMS SUCH AS SHIP HULLS IN BRACKISH OR SEAWATER FROM BARNICLE INFESTATIONS BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed