SCHEMBL5778952

SCHEMBL5778952

CC(C)[C@@H](C(=O)O)N1C(=O)CNC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.37
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
BCL2 P10415 2/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
BAK1 Q16611 1/20 0.33
MAPT P10636 4/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
FPR1 P21462 1/20 0.31
MME P08473 1/20 0.30
TP53 P04637 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CSNK2A2 P19784 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
SCHEMBL5779998 0.83 TSHR (0.39) TSHRMEN1KMT2AALDH1A1MME
SCHEMBL542300 0.76 RAB9A (0.41) RAB9AMEN1KMT2ABCL2BCL2L1
SCHEMBL15623779 0.76 RAB9A (0.41) RAB9AMEN1KMT2ABCL2BCL2L1
SCHEMBL4597482 0.74 SMN1; SMN2 (0.48) TSHRMEN1KMT2ABCL2MCL1
SCHEMBL4597189 0.74 SMN1; SMN2 (0.48) TSHRMEN1KMT2ABCL2MCL1
SCHEMBL4597186 0.74 SMN1; SMN2 (0.48) TSHRMEN1KMT2ABCL2MCL1
SCHEMBL840189 0.73 TSHR (0.34) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL1289923 0.73 RAB9A (0.39) RAB9AMEN1KMT2ABCL2BCL2L1
SCHEMBL5592303 0.71 TSHR (0.34) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL1514142 0.70 MEN1 (0.38) RAB9AMEN1KMT2ABCL2BCL2L1

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-1709037-A2 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LABORATORIES (US) 2006-10-11 EP disclosed
WO-2005061450-A2 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LABORATORIES (US) 2005-07-07 WO disclosed