SCHEMBL6003040

SCHEMBL6003040

[CH2]CC=CC=Cc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
CHAT P28329 5/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SMPD2 O60906 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40

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
SCHEMBL6002917 0.87 RXRA (0.49) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL9819923 0.87 RXRA (0.49) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL4626591 0.84 RXRA (0.57) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL4626594 0.84 RXRA (0.57) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL29399914 0.84 RXRA (0.57) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL27525379 0.82 RXRA (0.55) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL27493524 0.82 RXRA (0.55) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL27495890 0.82 RXRA (0.55) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10741170 0.82 CHAT (0.48) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10741168 0.82 CHAT (0.48) RXRACHATHDAC8HDAC6MTNR1A

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed