SCHEMBL14282994

SCHEMBL14282994

CC(C)(C)[Si](C)(C)OCc1ccc(Oc2cccc(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.47
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
PPARG P37231 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
EGFR P00533 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MRGPRX4 Q96LA9 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
SCHEMBL6424876 0.94 MAOB (0.42) MAOBPPARGSMN1; SMN2FNTAFNTB
SCHEMBL722684 0.81 IDO1 (0.56) MAOBIDO1AGXT
SCHEMBL9849151 0.81 GABRG2 (0.41) MAOBIDO1AGXTSMN1; SMN2KDM4E
SCHEMBL481257 0.77 IDO1 (0.50) MAOBIDO1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6156781 0.77 CHRNA7 (0.43) MAOBIDO1AGXTPPARGALDH1A1
SCHEMBL6420311 0.77 APP (0.47) IDO1PPARG
SCHEMBL3825220 0.77 CYP2A6 (0.37) MAOBIDO1AGXTKDM4EALDH1A1
SCHEMBL4496052 0.76 PREP (0.48) IDO1AGXT
SCHEMBL1539288 0.75 MAOB (0.50) MAOBSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL1284441 0.74 RAB9A (0.48) MAOBSMN1; SMN2KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8352193-B2 Methods for deriving a cumulative ranking TARGET DISCOVERY, INC. (US) 2013-01-08 US disclosed
US-7316931-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY, INC. (US) 2008-01-08 US disclosed
US-20070154900-A1 Methods for determining protein and peptide terminal sequences TARGET DISCOVERY, INC (US) 2007-07-05 US disclosed