SCHEMBL6002316

SCHEMBL6002316

CCc1cccc(C=CC[O])c1CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
TAAR1 Q96RJ0 2/20 0.33
HTR1A P08908 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
DHFR P00374 1/20 0.31
IAPP P10997 1/20 0.30

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
SCHEMBL28284921 0.84 GABRA1 (0.36) GABRA1GABRB2TAAR1HTR1APTGER1
SCHEMBL11215662 0.81 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL5528070 0.81 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1APTGER1
SCHEMBL10744107 0.78 GABRA1 (0.36) GABRA1GABRB2PTGER1PTGER4PTGER3
SCHEMBL3079662 0.77 GABRA1 (0.32) GABRA1GABRB2TAAR1PTGER1PTGER4
SCHEMBL6546138 0.76 CHAT (0.51) PTGER4PTGER3PTGER2
SCHEMBL3314632 0.76 CHAT (0.51) PTGER4PTGER3PTGER2
SCHEMBL547944 0.76 MEN1 (0.44) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL4903482 0.75 GABRA1 (0.41) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL16958549 0.75 GABRA1 (0.46) GABRA1GABRB2TAAR1HTR1AKCNH2

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