SCHEMBL9680692

SCHEMBL9680692

CC(C)c1cccc(C(C)C)c1NC(=O)Cc1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 1/20 0.54
SOAT1 P35610 3/20 0.51
SOAT2 O75908 2/20 0.51
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
MAPK8 P45983 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
LPAR1 Q92633 2/20 0.45
GLS O94925 1/20 0.45

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
SCHEMBL9462836 0.80 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1KDM4ESOAT1
SCHEMBL9843936 0.78 SMN1; SMN2 (0.77) SMN1; SMN2KMT2AMEN1KDM4ESOAT1
SCHEMBL3408925 0.77 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1KDM4ESOAT1
SCHEMBL9679236 0.76 KMT2A (0.52) SMN1; SMN2KMT2AMEN1KDM4ESOAT1
Benzene SCHEMBL9851028 0.75 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AMEN1KDM4ESOAT1
SCHEMBL9463095 0.75 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMEN1KDM4ESOAT1
SCHEMBL28229524 0.75 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMEN1KDM4ESOAT1
SCHEMBL9680238 0.75 SOAT2 (0.52) SMN1; SMN2KMT2AMEN1KDM4ESOAT1
SCHEMBL9678860 0.74 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL190379 0.73 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1KDM4ESOAT1

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
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed