SCHEMBL7414469

SCHEMBL7414469

CC(C)(C)OC(=O)Nc1sc2ccccc2c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
GLS O94925 2/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
AKT1 P31749 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
RECQL P46063 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL7426935 0.89 CYP1A2 (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL3497629 0.82 ABCC1 (0.55) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL1098305 0.81 MEN1 (0.41) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL16817403 0.81 FABP4 (0.53) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL14317217 0.80 MAPT (0.46) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL16817608 0.77 MAPT (0.49) MEN1KMT2AABCC1ABCG2MAPT
SCHEMBL14645285 0.74 CYP1A2 (0.46) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL25969748 0.73 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL23274029 0.73 MEN1 (0.41) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL23289627 0.73 CNR2 (0.44) MEN1KMT2ANPC1RAB9AGAA

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-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed