SCHEMBL6003334

SCHEMBL6003334

c1ccc(OCn2cccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
TBXAS1 P24557 1/20 0.43
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LTA4H P09960 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL6002506 0.76 TBXAS1 (0.70) ALDH1A1TBXAS1MAPK1LTA4HKMT2A
SCHEMBL15210209 0.73 TSHR (0.46) KCNA3ALDH1A1TBXAS1TSHRLTA4H
SCHEMBL27332919 0.73 KCNA3 (0.61) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL22315192 0.70 TBXAS1 (0.62) ALDH1A1TBXAS1MAPK1LTA4HKMT2A
SCHEMBL28258574 0.70 L3MBTL1 (0.63) RECQLALOX15TSHRDRD2DRD4
SCHEMBL21242380 0.69 PTGS1 (0.37) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL2300940 0.68 LTA4H (0.53) ALDH1A1TSHRLTA4HKCNH2
SCHEMBL8764222 0.68 MGLL (0.52) KCNA3ALOX15TSHRMAPK1
SCHEMBL12486958 0.68 LTA4H (0.58) ALDH1A1TSHRLTA4HKCNH2
SCHEMBL27962 0.68 KCNA3 (0.82) KCNA3TAAR1ALDH1A1RECQLLTA4H

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