SCHEMBL8941429

SCHEMBL8941429

CC(C)c1cc(C(C)C)c(S(=O)(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL8941259 0.77 SOAT2 (0.42) HSP90AA1HSP90AB1PDK1PDK2PDK3
SCHEMBL8941150 0.76 FABP3 (0.36) ALDH1A1ENPP3ENPP1PSEN1PSEN2
SCHEMBL9059388 0.75 ENPP3 (0.39) ENPP3ENPP1PSEN1PSEN2APH1B
SCHEMBL11888501 0.72 FABP4 (0.55) ALDH1A1ENPP3ENPP1PSEN1PSEN2
SCHEMBL8941378 0.71 SMN1; SMN2 (0.50) ALDH1A1ENPP3ENPP1MEN1KMT2A
SCHEMBL15082971 0.71 FABP3 (0.44) ALDH1A1ENPP3ENPP1PSEN1PSEN2
SCHEMBL15082953 0.70 FABP3 (0.43) ENPP3ENPP1PSEN1PSEN2APH1B
SCHEMBL90032 0.70 ALDH1A1 (0.58) HSP90AA1HSP90AB1PDK1PDK2PDK3
SCHEMBL14838301 0.68 FABP4 (0.41) ENPP3ENPP1PSEN1PSEN2APH1B
SCHEMBL15184276 0.68 PSEN1 (0.41) ALDH1A1ENPP3ENPP1PSEN1PSEN2

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