SCHEMBL9136121

SCHEMBL9136121

COC(=O)c1ccc(N(C)C(=O)N(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.63
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 3/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 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
SCHEMBL17671240 0.84 NOTUM (0.53) NOTUMCA1CA2TDP1CA12
SCHEMBL9096918 0.83 NOTUM (0.65) NOTUMCA1CA2TDP1CA12
SCHEMBL14293288 0.82 NOTUM (0.59) NOTUMCA1CA2TDP1CA12
SCHEMBL6011752 0.80 NOTUM (0.61) NOTUMCA1CA2TDP1CA12
SCHEMBL64502 0.80 ALDH1A1 (0.72) NOTUMCA1CA2TDP1CA12
SCHEMBL13645980 0.80 NOTUM (0.61) NOTUMCA1CA2TDP1CA12
SCHEMBL6932477 0.79 NOTUM (0.59) NOTUMCA1CA2TDP1CA12
SCHEMBL6932472 0.79 NOTUM (0.59) NOTUMCA1CA2TDP1CA12
SCHEMBL9134903 0.79 NPC1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL4611523 0.77 TSHR (0.63) NOTUMCA1CA2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446062-A Antiallergens, antiinflammatory agent ABBOTT LABORATORIES (US) 1995-08-29 US disclosed
US-5432194-A Antiallergens, antinflammatory agents ABBOTT LABORATORIES (US) 1995-07-11 US disclosed
US-5346914-A Antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1994-09-13 US disclosed