SCHEMBL3949097

SCHEMBL3949097

CC(C)(C)OC(=O)c1c(B(O)O)[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRG2 P18507 4/20 0.48
GABRB3 P28472 4/20 0.48
GABRA5 P31644 4/20 0.48
GABRA3 P34903 4/20 0.48
GABRA2 P47869 4/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46

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
SCHEMBL3948589 0.92 CTSV (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3940317 0.82 ALDH1A1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6764526 0.82 CASP3 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3788709 0.78 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3939434 0.78 GABRP (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31196064 0.76 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4069744 0.76 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4976948 0.76 ALDH1A1 (0.56) HPGDALDH1A1MAPTKDM4ETRPM8
SCHEMBL3389079 0.74 TRPM8 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3649418 0.73 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 WO disclosed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 WO disclosed