SCHEMBL5233322

SCHEMBL5233322

CC1CC=C2C(C1=O)c1cc(Br)ccc1N2C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.36
CDK1 P06493 2/20 0.36
BACE1 P56817 6/20 0.35
RBP4 P02753 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA6 Q16445 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRB2 P47870 1/20 0.33
ROCK2 O75116 1/20 0.33
GABRA4 P48169 1/20 0.33
TSHR P16473 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL25994275 0.76 CDK1 (0.45) USP30CDK1BACE1RBP4GABRA1
SCHEMBL30847702 0.76 CDK1 (0.45) USP30CDK1BACE1RBP4GABRA1
SCHEMBL23959057 0.73 CDK1 (0.46) USP30CDK1BACE1GABRA1GABRG2
SCHEMBL6137318 0.71 CDK1 (0.42) USP30CDK1BACE1GABRA1GABRG2
SCHEMBL20571996 0.69 KDM1A (0.42) USP30BACE1RBP4GABRA1GABRG2
SCHEMBL30158232 0.69 KDM1A (0.42) USP30BACE1RBP4GABRA1GABRG2
SCHEMBL17792475 0.69 USP30 (0.44) USP30CDK1BACE1RBP4CCNB2
SCHEMBL2673664 0.67 PDE5A (0.41) USP30CDK1BACE1RBP4GABRA1
SCHEMBL31499359 0.67 CDK1 (0.46) CDK1BACE1ROCK2BCHECCNB2
SCHEMBL6137319 0.67 HRH3 (0.37) USP30CDK1BACE1RBP4GABRA1

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
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 WO disclosed