SCHEMBL9723490

SCHEMBL9723490

CC(C)c1cccc(C(C)C)c1NC(=O)OC(N)=S

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.52
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.48
LPAR1 Q92633 3/20 0.46
SOAT1 P35610 2/20 0.45
SOAT2 O75908 1/20 0.45
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9723542 0.87 NLRP3 (0.55) NLRP3KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL18550678 0.78 SOAT1 (0.53) NLRP3KMT2ALMNASMN1; SMN2LPAR1
SCHEMBL8819876 0.78 KMT2A (0.61) NLRP3KMT2ALMNASMN1; SMN2LPAR1
SCHEMBL7567749 0.75 NLRP3 (0.52) NLRP3KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL19853203 0.74 NLRP3 (0.55) NLRP3KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL28188485 0.74 NLRP3 (0.81) NLRP3KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL9509926 0.74 SOAT1 (0.56) NLRP3KMT2ALMNASMN1; SMN2LPAR1
SCHEMBL6429941 0.74 KMT2A (0.65) NLRP3KMT2ALMNASMN1; SMN2LPAR1
SCHEMBL462304 0.74 LPAR1 (0.66) NLRP3KMT2ALMNASMN1; SMN2LPAR1
SCHEMBL3955253 0.73 KMT2A (0.59) NLRP3KMT2ALMNASMN1; SMN2MAPK1

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-5153223-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed