SCHEMBL9316545

SCHEMBL9316545

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CCCCCCCCCCCOC1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.42
SOAT1 P35610 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL9316461 0.77 SOAT1 (0.43) MEN1KMT2ATDP1SOAT1SMN1; SMN2
SCHEMBL9317529 0.75 SOAT1 (0.64) SOAT1SMN1; SMN2
SCHEMBL9317566 0.75 SOAT1 (0.64) SOAT1SMN1; SMN2
SCHEMBL9315973 0.75 SOAT1 (0.64) SOAT1SMN1; SMN2
SCHEMBL9316503 0.75 SOAT1 (0.64) SOAT1SMN1; SMN2
SCHEMBL18350198 0.74 MEN1 (0.57) MEN1KMT2A
SCHEMBL25340470 0.71 KMT2A (0.51) MEN1KMT2ATDP1ALDH1A1
SCHEMBL14830451 0.71 KMT2A (0.51) MEN1KMT2ATDP1ALDH1A1
SCHEMBL25132592 0.71 KMT2A (0.51) MEN1KMT2ATDP1ALDH1A1
SCHEMBL14830452 0.71 KMT2A (0.51) MEN1KMT2ATDP1ALDH1A1

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-5278326-A Aromatic WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed