SCHEMBL8941150

SCHEMBL8941150

CC(C)c1cc(C(C)C)c(S(=O)(=O)OCC(=O)N(Cc2ccc(C=S)cc2)C(C)C)c(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
HDAC1 Q13547 1/20 0.36
KMT2A Q03164 3/20 0.36
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
MEN1 O00255 2/20 0.36
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PSMB5 P28074 4/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
SCHEMBL9059388 0.88 ENPP3 (0.39) FABP3FABP4FABP5KMT2AENPP3
SCHEMBL8941429 0.76 HSP90AA1 (0.44) FABP3FABP4FABP5KMT2AENPP3
SCHEMBL11888501 0.68 FABP4 (0.55) FABP3FABP4FABP5HDAC1ENPP3
SCHEMBL8941378 0.67 SMN1; SMN2 (0.50) KMT2AENPP3ENPP1MEN1SMN1; SMN2
SCHEMBL8941153 0.65 SOAT2 (0.38) FABP3FABP4FABP5KMT2AMEN1
SCHEMBL9059244 0.65 FABP3 (0.40) FABP3FABP4FABP5ENPP3ENPP1
SCHEMBL17639907 0.63 FABP4 (0.57) FABP3FABP4FABP5HDAC1ENPP3
SCHEMBL9059390 0.63 SOAT2 (0.36) KMT2AMEN1PSMB5MAPT
SCHEMBL15082948 0.62 FABP4 (0.51) FABP3FABP4FABP5HDAC1ENPP3
SCHEMBL2946584 0.61 FABP4 (0.62) FABP3FABP4FABP5HDAC1ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed