SCHEMBL7876547

SCHEMBL7876547

CC(C)(C)[C@H](N)C(=O)Nc1nncs1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.52
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR3C1 P04150 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL13689124 0.83 FFAR2 (0.57) FFAR2LMNAALDH1A1HPGDHSD17B10
SCHEMBL11174268 0.83 FFAR2 (0.57) FFAR2LMNAALDH1A1HPGDHSD17B10
SCHEMBL11174264 0.83 FFAR2 (0.57) FFAR2LMNAALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11188560 0.81 FFAR2 (0.56) FFAR2LMNAALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11186377 0.81 FFAR2 (0.56) FFAR2LMNAALDH1A1HPGDHSD17B10
Bromide SCHEMBL11193140 0.81 FFAR2 (0.56) FFAR2LMNAALDH1A1HPGDHSD17B10
Bromide SCHEMBL11193137 0.81 FFAR2 (0.56) FFAR2LMNAALDH1A1HPGDHSD17B10
SCHEMBL1107001 0.78 LMNA (0.62) FFAR2LMNAALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11189717 0.78 FFAR2 (0.52) FFAR2LMNAALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11189725 0.78 FFAR2 (0.52) FFAR2LMNAALDH1A1HPGDHSD17B10

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