SCHEMBL9138451

SCHEMBL9138451

CC(C)c1cccc(C(C)C)c1NC(=O)OCOc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.60
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LPAR1 Q92633 1/20 0.44
SOAT2 O75908 1/20 0.43
SOAT1 P35610 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
SCHEMBL9359202 0.79 NLRP3 (0.56) NLRP3MAPK1SMN1; SMN2
SCHEMBL20702692 0.75 NLRP3 (1.00) NLRP3MAPK1SMN1; SMN2KMT2ALMNA
SCHEMBL11112611 0.75 TSHR (0.47) KMT2ALMNAMEN1
SCHEMBL9723445 0.73 LPAR1 (0.52) NLRP3SMN1; SMN2KMT2ALMNALPAR1
SCHEMBL8819874 0.72 KMT2A (0.61) NLRP3SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL9843936 0.72 SMN1; SMN2 (0.77) NLRP3SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL19853203 0.72 NLRP3 (0.55) NLRP3MAPK1SMN1; SMN2KMT2ALMNA
SCHEMBL9723542 0.72 NLRP3 (0.55) NLRP3MAPK1SMN1; SMN2KMT2ALMNA
SCHEMBL6429941 0.71 KMT2A (0.65) NLRP3SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL462304 0.71 LPAR1 (0.66) NLRP3SMN1; SMN2KMT2ALMNAMEN1

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-5384328-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1995-01-24 US disclosed