SCHEMBL7873389

SCHEMBL7873389

CC(C)(O)[C@H](N)C(=O)Nc1nccs1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 5/20 0.53
FFAR2 O15552 4/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.50
HSPA9 P38646 2/20 0.49
NR3C1 P04150 1/20 0.49
HSPA2 P54652 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.47

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
SCHEMBL6056907 0.89 HSPA5 (0.57) HSPA5FFAR2LMNATSHRHSPA9
SCHEMBL4119851 0.89 HSPA5 (0.57) HSPA5FFAR2LMNATSHRHSPA9
Hydrochloric Acid SCHEMBL7422746 0.88 HSPA5 (0.56) HSPA5FFAR2LMNATSHRHSPA9
Bromide SCHEMBL11317007 0.80 LMNA (0.57) HSPA5FFAR2LMNATSHRHSPA9
SCHEMBL23804604 0.78 LMNA (0.59) HSPA5FFAR2LMNATSHRHSPA9
SCHEMBL7876872 0.78 LMNA (0.59) HSPA5FFAR2LMNATSHRHSPA9
SCHEMBL4119847 0.78 LMNA (0.56) HSPA5FFAR2LMNATSHRHSPA9
SCHEMBL7868173 0.78 LMNA (0.56) HSPA5FFAR2LMNATSHRHSPA9
SCHEMBL1107000 0.77 ADORA2A (0.68) HSPA5FFAR2LMNATSHRHSPA9
SCHEMBL12884426 0.77 LMNA (0.58) HSPA5FFAR2LMNATSHRHSPA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed