SCHEMBL7873351

SCHEMBL7873351

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 4/20 0.60
▸ HSPA5 P11021 6/20 0.59
▸ HSPA2 P54652 3/20 0.59
▸ GCK P35557 1/20 0.56
▸ LMNA P02545 3/20 0.55
▸ XBP1 P17861 1/20 0.55
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSPA9 P38646 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ AAK1 Q2M2I8 1/20 0.50
▸ CIT O14578 1/20 0.49

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
SCHEMBL27228868 1.00 FFAR2 (0.60) FFAR2HSPA5HSPA2GCKLMNA
SCHEMBL9072828 0.83 HSPA5 (0.49) FFAR2HSPA5LMNAXBP1TSHR
SCHEMBL5875678 0.82 CYP1A2 (0.62) FFAR2HSPA5HSPA2LMNAXBP1
Bromide SCHEMBL11317007 0.81 LMNA (0.57) FFAR2HSPA5HSPA2LMNAXBP1
SCHEMBL23804604 0.80 LMNA (0.59) FFAR2HSPA5HSPA2LMNAXBP1
SCHEMBL7868173 0.80 LMNA (0.56) FFAR2HSPA5HSPA2LMNAXBP1
SCHEMBL7876872 0.80 LMNA (0.59) FFAR2HSPA5HSPA2LMNAXBP1
SCHEMBL17152395 0.80 MMP9 (0.43) FFAR2HSPA5HSPA2GCKLMNA
SCHEMBL7868150 0.80 ALDH1A1 (0.51) FFAR2HSPA5HSPA2LMNAXBP1
SCHEMBL1107000 0.79 ADORA2A (0.68) FFAR2HSPA5HSPA2LMNAXBP1

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
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