SCHEMBL9844301

SCHEMBL9844301

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)N(Cc1ccc([S+](C)[O-])cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SOAT1 P35610 3/20 0.44
▸ SOAT2 O75908 2/20 0.44
▸ TDP1 Q9NUW8 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
SCHEMBL2147650 0.85 KMT2A (0.65) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL9844053 0.84 KMT2A (0.50) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL9843942 0.83 MEN1 (0.49) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL3308654 0.82 MEN1 (0.48) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL9843954 0.77 SOAT1 (0.47) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL6899771 0.73 SOAT1 (0.62) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL9843936 0.71 SMN1; SMN2 (0.77) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL9844078 0.68 SOAT1 (0.56) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL9844128 0.68 SOAT1 (0.55) MEN1KMT2ASMN1; SMN2SOAT1SOAT2
SCHEMBL13328398 0.68 SOAT2 (0.55) MEN1KMT2ASMN1; SMN2SOAT1SOAT2

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
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 — — EP claimed
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