SCHEMBL7873410

SCHEMBL7873410

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
XBP1 P17861 1/20 0.50
HSPA5 P11021 5/20 0.48
HSPA2 P54652 3/20 0.48
FFAR2 O15552 4/20 0.48
TSHR P16473 1/20 0.47
HSPA9 P38646 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
GCK P35557 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6056801 0.84 LMNA (0.51) LMNAXBP1HSPA5HSPA2FFAR2
Hydrochloric Acid SCHEMBL7381658 0.83 LMNA (0.50) LMNAXBP1HSPA5HSPA2FFAR2
SCHEMBL7876510 0.82 PKM (0.55) LMNAXBP1HSPA5HSPA2TSHR
SCHEMBL23804604 0.81 LMNA (0.59) LMNAXBP1HSPA5HSPA2FFAR2
SCHEMBL7868173 0.81 LMNA (0.56) LMNAXBP1HSPA5HSPA2FFAR2
SCHEMBL7876872 0.81 LMNA (0.59) LMNAXBP1HSPA5HSPA2FFAR2
SCHEMBL7868134 0.80 LMNA (0.49) LMNAXBP1HSPA5HSPA2TSHR
SCHEMBL6056845 0.79 HSPA5 (0.60) LMNAXBP1HSPA5HSPA2FFAR2
SCHEMBL7415644 0.79 HSPA5 (0.60) LMNAXBP1HSPA5HSPA2FFAR2
Bromide SCHEMBL11310643 0.78 LMNA (0.57) LMNAXBP1HSPA5HSPA2FFAR2

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