SCHEMBL9008145

SCHEMBL9008145

CSc1cc(C)nc(SC)c1NC(=O)C1SC(CCCSC2CCCCC2)CCC1CCCSC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.35
▸ SOAT1 P35610 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.30

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
SCHEMBL9008076 0.87 SOAT1 (0.36) SOAT1SMN1; SMN2
SCHEMBL9008152 0.86 SOAT1 (0.36) SOAT1
SCHEMBL9008139 0.85 SOAT1 (0.35) SOAT1
SCHEMBL9008067 0.85 SOAT1 (0.35) SOAT1
SCHEMBL9008090 0.85 SOAT1 (0.35) SOAT1
SCHEMBL9008269 0.83 SOAT1 (0.39) SOAT1
SCHEMBL9008128 0.77 SOAT1 (0.36) SOAT1
SCHEMBL9008115 0.70 SOAT1 (0.39) SOAT1
SCHEMBL13716530 0.68 SOAT1 (0.36) SOAT1
SCHEMBL9008080 0.67 SOAT1 (0.35) SOAT1

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-5491152-A Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 — — US disclosed
Send feedback